Basic information
- CAS
10199-53-8- Standard SMILES
Cn1nc(C(=O)O)cc1-c1ccccc1- InChIKey
ZDUDGEACIDDEPL-UHFFFAOYSA-N- Molecular formula
- C11H10N2O2
- Average molar mass
- 202.21 g/mol
- Monoisotopic mass
- 202.07422757
Names & identifiers
- Preferred name
- 1-Methyl-5-phenyl-1H-pyrazole-3-carboxylic acid
- IUPAC
- 1-methyl-5-phenylpyrazole-3-carboxylic acid
- English name
- 1-Methyl-5-phenyl-1H-pyrazole-3-carboxylic acid
- Molecular formula
- C11H10N2O2
- Molecular weight
- 202.21
Names & synonyms
10199-53-81-Methyl-5-phenyl-1H-pyrazole-3-carboxylic acidDTXSID60428766RefChem:231952DTXCID803796001-methyl-5-phenylpyrazole-3-carboxylic acid1H-Pyrazole-3-carboxylic acid, 1-methyl-5-phenyl-MFCD082719331-Methyl-5-phenyl pyrazole-3-carboxylic acid1-methyl-5-phenyl-pyrazole-3-carboxylic Acid1H-Pyrazole-3-carboxylicacid, 1-methyl-5-phenyl-SCHEMBL570061
Show more names
1-Methyl 3-phenyl-1H-pyrazol-5-carboxylic acid1-Methyl-5-phenyl-1H-pyrazole-3-carboxylicacid97%1-Methyl-5-phenyl-1H-pyrazole-3-carboxylic acid 97%1-Methyl-5-phenyl-1H-pyrazole-3-carboxylic acid - [M71511]1-methyl-5-phenyl-1H-pyrazole-3-carboxylic acid(SALTDATA: FREE)3-Carboxy-1-methyl-5-phenyl-1H-pyrazole, (3-Carboxy-1-methyl-1H-pyrazol-5-yl)benzene
ZDUDGEACIDDEPL-UHFFFAOYSA-NKAA19953SBB092935AKOS000351098CS-W000419BS-14164SY128858DB-058745
Database identifiers
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 239
Physicochemical properties
- Melting point
- 144 · 144-145
- Boiling point
- 419.6 · 419.6±33.0 °C(Predicted)
- Density
- 1.24 · 1.24±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- form
- solid
- pka
- 3.99 · 3.99±0.10(Predicted)
- color
- Off-white
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 271 · P271-P280
- Risk Statements
- 36 · 36
- Safety Statements
- 26 · 26
- Hazard Note
- Harmful
- HS Code
- 2933199090 · 2933199090
Safety & regulation
Safety data
- hs_code
- 2933199090
- risk_code
- 36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_note
- Harmful
- safety_code
- 26
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P271-P280
Chemistry & industry
Suppliers48 total
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
杭州鸿喜生物医药科技有限公司18989489206 · [email protected]
上海炎泽化工有限公司15345144255 19975051755 · [email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
凯曦（武汉）生物科技有限公司18086025538
上海遐瑞医药科技有限公司+86-021-61551413 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
武汉萘星光电科技有限公司13407122362
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
长沙麓兴生物科技有限公司0731-88827538 15574813303 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海泰坦科技股份有限公司400-6009262 15618770481 · [email protected]
Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
Related reactions
6 records
Compound notes
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