Basic information
- Standard SMILES
Cn1ncc(Br)c1C(O)c1ccccc1- InChIKey
ISOFRRQGTLHGQB-UHFFFAOYSA-N- Molecular formula
- C11H11BrN2O
- Average molar mass
- 267.12 g/mol
Names & identifiers
- Preferred name
- (4-bromo-1-methyl-1H-pyrazol-5-yl)(phenyl)methanol
- IUPAC
- (4-bromo-1-methylpyrazol-5-yl)-phenylmethanol
Names & synonyms
(4-bromo-1-methyl-1H-pyrazol-5-yl)(phenyl)methanol122155-82-2SCHEMBL4909967ISOFRRQGTLHGQB-UHFFFAOYSA-N(4-Bromo-2-methyl-2H-pyrazol-3-yl)-phenyl-methanol
Database identifiers
- PubChem CID
- 14520172
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 38.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 209
Related reactions
4 records
Compound notes
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