1-(4-methoxyphenyl)-3,4-dimethyl-1H-pyrazole-5-carboxylic acid
Basic information
- CAS
1338247-83-8- Standard SMILES
COc1ccc(-n2nc(C)c(C)c2C(=O)O)cc1- InChIKey
XLQVXHCWSHHOCI-UHFFFAOYSA-N- Molecular formula
- C13H14N2O3
- Average molar mass
- 246.26 g/mol
- Monoisotopic mass
- 246.10044231
Names & identifiers
- Preferred name
- 1-(4-methoxyphenyl)-3,4-dimethyl-1H-pyrazole-5-carboxylic acid
- IUPAC
- 2-(4-methoxyphenyl)-4,5-dimethylpyrazole-3-carboxylic acid
- English name
- 1-(4-Methoxyphenyl)-3,4-diMethyl-1H-pyrazol-5-carboxylic acid
- Molecular formula
- C13H14N2O3
- Molecular weight
- 246.26
Names & synonyms
1-(4-methoxyphenyl)-3,4-dimethyl-1H-pyrazole-5-carboxylic acid1338247-83-81-(4-Methoxyphenyl)-3,4-diMethyl-1H-pyrazol-5-carboxylic acid1H-Pyrazole-5-carboxylic acid, 1-(4-methoxyphenyl)-3,4-dimethyl-
Database identifiers
- CAS
1338247-83-8- PubChem CID
- 73357482
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 303
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