3-Chloro-N-(4-(5-hydroxy-3-methyl-1H-pyrazol-1-yl)phenyl)propionamide
Basic information
- CAS
79817-54-2- Standard SMILES
Cc1cc(=O)n(-c2ccc(NC(=O)CCCl)cc2)[nH]1- InChIKey
BZKRLPKCSXAECK-UHFFFAOYSA-N- Molecular formula
- C13H14ClN3O2
- Average molar mass
- 279.72 g/mol
- Monoisotopic mass
- 279.0774544
Names & identifiers
- Preferred name
- 3-Chloro-N-(4-(5-hydroxy-3-methyl-1H-pyrazol-1-yl)phenyl)propionamide
- IUPAC
- 3-chloro-N-[4-(5-methyl-3-oxo-1H-pyrazol-2-yl)phenyl]propanamide
- English name
- 3-chloro-N-[4-(5-hydroxy-3-methyl-1H-pyrazol-1-yl)phenyl]propionamide
- Molecular formula
- C13H14ClN3O2
- Molecular weight
- 279.72216
Names & synonyms
79817-54-2EINECS 279-285-03-Chloro-N-(4-(5-hydroxy-3-methyl-1H-pyrazol-1-yl)phenyl)propionamide3-CHLORO-N-[4-(5-HYDROXY-3-METHYL-1H-PYRAZOL-1-YL)PHENYL]PROPIONAMIDEQWK973F9W9BZKRLPKCSXAECK-UHFFFAOYSA-NDTXSID3010007633-Chloro-N-[4-(5-hydroxy-3-methyl-1H-pyrazol-1-yl)phenyl]propanamidePropanamide,3-chloro-N-[4-(5-hydroxy-3-methyl-1H-pyrazol-1-yl)phenyl]-NS000610723-Chloro-N-[4-(3-methyl-5-oxo-2,5-dihydro-1H-pyrazol-1-yl)phenyl]propanamide
Database identifiers
- CAS
79817-54-2- PubChem CID
- 3018875
- DTXSID
DTXSID301000763- UNII
- QWK973F9W9
- EC Number
- 279-285-0
- Nikkaji
- J320.173B
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 61.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 389
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Compound notes
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