1-(5-chloro-1-methyl-3-phenyl-1H-pyrazol-4-yl)-1-propanol
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Basic information
- CAS
318497-80-2- Standard SMILES
CCC(O)c1c(-c2ccccc2)nn(C)c1Cl- InChIKey
URMFEDCVPQQNFI-UHFFFAOYSA-N- Molecular formula
- C13H15ClN2O
- Average molar mass
- 250.72 g/mol
- Monoisotopic mass
- 250.0872908
Names & identifiers
- Preferred name
- 1-(5-chloro-1-methyl-3-phenyl-1H-pyrazol-4-yl)-1-propanol
- IUPAC
- 1-(5-chloro-1-methyl-3-phenylpyrazol-4-yl)propan-1-ol
- English name
- 1-(5-CHLORO-1-METHYL-3-PHENYL-1H-PYRAZOL-4-YL)-1-PROPANOL
- Molecular formula
- C13H15ClN2O
- Molecular weight
- 250.72
Names & synonyms
318497-80-21-(5-chloro-1-methyl-3-phenyl-1H-pyrazol-4-yl)-1-propanol1-(5-chloro-1-methyl-3-phenyl-1H-pyrazol-4-yl)propan-1-olMFCD006649361-(5-chloro-1-methyl-3-phenylpyrazol-4-yl)propan-1-olMLS000706767CHEMBL1580370HMS2657G11AKOS0050947295K-506SSMR0003342701-(5-chloro-1-methyl-3-phenyl-pyrazol-4-yl)propan-1-ol
Show more names
1H-Pyrazole-4-methanol, 5-chloro-α-ethyl-1-methyl-3-phenyl-
Database identifiers
- CAS
318497-80-2- PubChem CID
- 3756816
- ChEMBL
CHEMBL1580370
Properties
Computed structural propertiesFilling in
- XLogP
- 2.9
- Topological polar surface area
- 38.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 246
Related reactions
0 records
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Compound notes
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