Basic information
- Standard SMILES
O=c1c(-n2cnc(C(F)(F)F)c2)c[nH]n1-c1ccc(CO)cn1- InChIKey
HMZQDVXZMGUJBE-UHFFFAOYSA-N- Molecular formula
- C13H10F3N5O2
- Average molar mass
- 325.25 g/mol
Names & identifiers
- Preferred name
- 2-[5-(Hydroxymethyl)pyridin-2-yl]-4-[4-(trifluoromethyl)-1H-imidazol-1-yl]-1,2-dihydro-3H-pyrazol-3-one
- IUPAC
- 2-[5-(hydroxymethyl)-2-pyridinyl]-4-[4-(trifluoromethyl)imidazol-1-yl]-1H-pyrazol-3-one
Names & synonyms
2-[5-(Hydroxymethyl)pyridin-2-yl]-4-[4-(trifluoromethyl)-1H-imidazol-1-yl]-1,2-dihydro-3H-pyrazol-3-oneSCHEMBL2573299CHEMBL3646109BDBM118330US8653111, 122-[5-(Hydroxymethyl)pyridin-2-yl]-4-[4-(trifluoromethyl) -1H-imidazol-1-yl]-1,2-dihydro-3H-pyrazol-3-one
Database identifiers
- PubChem CID
- 59603588
- ChEMBL
CHEMBL3646109
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 83.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 498
Related reactions
4 records
Compound notes
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