Basic information
- CAS
36825-86-2- Standard SMILES
CC(C)c1ccc(-c2cc(C(=O)O)[nH]n2)cc1- InChIKey
PCZGIQISGVTTCE-UHFFFAOYSA-N- Molecular formula
- C13H14N2O2
- Average molar mass
- 230.26 g/mol
- Monoisotopic mass
- 230.10552769
Names & identifiers
- Preferred name
- 3-(4-isopropylphenyl)-1H-pyrazole-5-carboxylic acid
- IUPAC
- 3-(4-propan-2-ylphenyl)-1H-pyrazole-5-carboxylic acid
- English name
- 3-(4-Isopropylphenyl)-1H-pyrazole-5-carboxylic acid
- Molecular formula
- C13H14N2O2
- Molecular weight
- 230.26
Names & synonyms
36825-86-23-(4-isopropylphenyl)-1H-pyrazole-5-carboxylic acidMFCD051700433-[4-(propan-2-yl)phenyl]-1H-pyrazole-5-carboxylic acid5-[4-(Propan-2-yl)phenyl]-1H-pyrazole-3-carboxylic acid3-(4-propan-2-ylphenyl)-1H-pyrazole-5-carboxylic acidMLS-0091970.00015-(4-Isopropylphenyl)-1H-pyrazole-3-carboxylic acid3-[4-(methylethyl)phenyl]pyrazole-5-carboxylic acidcid_975396SCHEMBL1414110CHEMBL1605831
Show more names
AKOS BBS-000025895-[4-(1-Methylethyl)phenyl]-1H-pyrazole-3-carboxylic acid1H-Pyrazole-3-carboxylic acid, 5-[4-(1-methylethyl)phenyl]-5-(4-Isopropyl-phenyl)-1H-pyrazole-3-carboxylic acid methyl ester
BDBM45816SBB039866STL145881AKOS000266713AKOS008968051EBC-611634NCGC00334535-01LS-14205
Database identifiers
- CAS
36825-86-2
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 66 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 273
Physicochemical properties
- Boiling point
- 474 · 474.0±40.0 °C(Predicted)
- Density
- 1.219 · 1.219±0.06 g/cm3(Predicted)
- pka
- 3.92 · 3.92±0.10(Predicted)
Chemistry & industry
Suppliers1 total
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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