5-(4-Methoxyphenyl)-1-methylpyrazole-3-carboxylic acid
Basic information
- CAS
957312-76-4- Standard SMILES
COc1ccc(-c2cc(C(=O)O)nn2C)cc1- InChIKey
SMMCMCIJHBQWLN-UHFFFAOYSA-N- Molecular formula
- C12H12N2O3
- Average molar mass
- 232.23 g/mol
- Monoisotopic mass
- 232.08479225
Names & identifiers
- Preferred name
- 5-(4-Methoxyphenyl)-1-methylpyrazole-3-carboxylic acid
- IUPAC
- 5-(4-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid
- English name
- 5-(4-Methoxyphenyl)-1-Methylpyrazole-3-carboxylic acid
- Molecular formula
- C12H12N2O3
- Molecular weight
- 232.24
Names & synonyms
957312-76-45-(4-Methoxyphenyl)-1-methyl-1H-pyrazole-3-carboxylic acid5-(4-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid5-(4-Methoxy-phenyl)-1-methyl-1H-pyrazole-3-carboxylic acid5-(4-Methoxyphenyl)-1-methyl-1H-pyrazole-3-carboxylicacidDTXSID80390219MFCD07186421SBB011643AKOS000301978BS-33399DB-332652CS-0118442
Show more names
1H-Pyrazole-3-carboxylic acid, 5-(4-methoxyphenyl)-1-methyl-
ST50289541SR-01000368677SR-01000368677-15-(4-methoxyphenyl)-1-methyl-pyrazole-3-carboxylic acid5-(4-Methoxyphenyl)-1-methyl-1H-pyrazole 3-carboxylic acid
Database identifiers
- CAS
957312-76-4- PubChem CID
- 3159657
- DTXSID
DTXSID80390219
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 277
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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