1H-Pyrazole-4-carboxylicacid, 2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl
1H-Pyrazole-4-carboxylicacid, 2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl structure
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Common Name | 1H-Pyrazole-4-carboxylicacid, 2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl | ||
|---|---|---|---|---|
| CAS Number | 83-10-3 | Molecular Weight | 232.23500 | |
| Density | 1.342g/cm3 | Boiling Point | 363ºC at 760mmHg | |
| Molecular Formula | C12H12N2O3 | Melting Point | 213 - 214 °C(甲醇); 219 - 221 °C | |
| MSDS | N/A | Flash Point | 173.3ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxylic acid |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.342g/cm3 |
|---|---|
| Boiling Point | 363ºC at 760mmHg |
| Melting Point | 213 - 214 °C(甲醇); 219 - 221 °C |
| Molecular Formula | C12H12N2O3 |
| Molecular Weight | 232.23500 |
| Flash Point | 173.3ºC |
| Exact Mass | 232.08500 |
| PSA | 64.23000 |
| LogP | 1.18260 |
| Index of Refraction | 1.618 |
| InChIKey | DHFYEFAILLBNHD-UHFFFAOYSA-N |
| SMILES | Cc1c(C(=O)O)c(=O)n(-c2ccccc2)n1C |
| Storage condition | 2-8°C |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | Xi |
|---|---|
| HS Code | 2933199090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 9 | |
|---|---|
| DownStream 5 | |
CAS#:950-81-2
CAS#:10013-09-9
CAS#:6538-52-9
CAS#:60-80-0
CAS#:75-44-5
CAS#:132624-53-4
CAS#:108875-23-6
CAS#:107056-79-1
CAS#:40570-67-0
CAS#:5426-65-3
CAS#:1251-85-0
CAS#:1140-38-1
CAS#:61226-21-9This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2933199090 |
|---|---|
| Summary | 2933199090. other compounds containing an unfused pyrazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Screen for inhibitors of RMI FANCM (MM2) intereaction
Source: 11908
Target: N/A
External Id: RMI-FANCM-MM2
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Name: NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L...
Source: DTP/NCI
Target: N/A
External Id: MCF7_OneDose
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Name: NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell...
Source: DTP/NCI
Target: N/A
External Id: IGROV1_OneDose
|
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxylic acid |
| 2,3-dimethyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazole-4-carboxylic acid |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the polar surface area (PSA) of 1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxylic acid? |
| A: Polar surface area (PSA) of 1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxylic acid is 64.23000. |
| Q: What is the SMILES notation of 1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxylic acid? |
| A: SMILES notation of 1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxylic acid is Cc1c(C(=O)O)c(=O)n(-c2ccccc2)n1C. |
| Q: What are the storage conditions for 1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxylic acid? |
| A: Storage conditions for 1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxylic acid: 2-8°C. |
| Q: What English synonyms does 1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxylic acid have? |
| A: English synonyms of 1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxylic acid: 1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxylic acid, 2,3-dimethyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazole-4-carboxylic acid. |
| Q: What are the upstream materials of 1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxylic acid? |
| A: Related upstream materials(CAS) of 1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxylic acid: 950-81-2;10013-09-9;6538-52-9;60-80-0;75-44-5;132624-53-4;108875-23-6;107056-79-1;40570-67-0. |
| Q: What are the downstream products of 1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxylic acid? |
| A: Related downstream products(CAS) of 1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxylic acid: 5426-65-3;60-80-0;1251-85-0;1140-38-1;61226-21-9. |
| Q: What is the molecular formula of 1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxylic acid? |
| A: Molecular formula of 1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxylic acid is C12H12N2O3. |
| Q: What is the LogP of 1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxylic acid? |
| A: LogP of 1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxylic acid is 1.18260. |
| Q: What is the molecular weight of 1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxylic acid? |
| A: Molecular weight of 1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxylic acid is 232.23500. |
| Q: What is the InChIKey of 1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxylic acid? |
| A: InChIKey of 1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxylic acid is DHFYEFAILLBNHD-UHFFFAOYSA-N. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Dayang Chem (Hangzhou) Co., Ltd. |