methyl 3-cyano-1-methyl-1H-pyrazole-5-carboxylate
Basic information
- CAS
232281-30-0- Standard SMILES
COC(=O)c1cc(C#N)nn1C- InChIKey
OVXHGMMTZKIPQR-UHFFFAOYSA-N- Molecular formula
- C7H7N3O2
- Average molar mass
- 165.15 g/mol
- Monoisotopic mass
- 165.05382648
Names & identifiers
- Preferred name
- methyl 3-cyano-1-methyl-1H-pyrazole-5-carboxylate
- IUPAC
- methyl 3-cyano-1-methylpyrazole-5-carboxylate
- English name
- 1H-Pyrazole-5-carboxylicacid,3-cyano-1-methyl-,methylester(9CI)
- Molecular formula
- C7H7N3O2
- Molecular weight
- 165.15
Names & synonyms
methyl 3-cyano-1-methyl-1H-pyrazole-5-carboxylate232281-30-0methyl 5-cyano-2-methylpyrazole-3-carboxylate1H-Pyrazole-5-carboxylicacid,3-cyano-1-methyl-,methylester(9CI)1H-Pyrazole-5-carboxylic acid, 3-cyano-1-methyl-, methyl esterSCHEMBL6826260DTXSID601178129
Database identifiers
- CAS
232281-30-0- PubChem CID
- 22716004
- DTXSID
DTXSID601178129
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 67.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 232
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Compound notes
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