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Basic information
- Standard SMILES
Nc1c(C(=O)c2cccc(CCO)c2)cnn1-c1ccc(F)cc1- InChIKey
YNQCAQKAWQPMQN-UHFFFAOYSA-N- Molecular formula
- C18H16FN3O2
- Average molar mass
- 325.3 g/mol
- Monoisotopic mass
- 325.12265492
Names & identifiers
- Preferred name
- 5-Amino-1-(4-fluorophenyl)4-[3-(2-hydroxyethyl)benzoyl]pyrazole
- IUPAC
- [5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-[3-(2-hydroxyethyl)phenyl]methanone
Names & synonyms
aminopyrazole 27CHEMBL380849SCHEMBL4731964BDBM15746YNQCAQKAWQPMQN-UHFFFAOYSA-N5-amino-1-(4-fluorophenyl)-4-[3-(2-hydroxyethyl)benzoyl]pyrazole5-amino-1-(4-fluorophenyl)4-[3-(2-hydroxyethyl)benzoyl]pyrazole5-Amino-1-(4-fluorophenyl)- 4-[3-(2-hydroxyethyl)benzoyl]-pyrazole2-(3-{[5-amino-1-(4-fluorophenyl)-1H-pyrazol-4-yl]carbonyl}phenyl)ethan-1-ol
Database identifiers
- PubChem CID
- 9840263
- ChEMBL
CHEMBL380849
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 81.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 428
Related reactions
9 records
Compound notes
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