1-(4-(4-Bromo-3,5-dimethylphenyl)-1H-pyrazol-1-yl)-2-methylpropan-2-ol (HCID 86697237)

Substructure search Find similar structures

Basic information

Standard SMILES: Cc1cc(-c2cnn(CC(C)(C)O)c2)cc(C)c1Br
InChIKey: FYYJLUYAWFNXDM-UHFFFAOYSA-N
Molecular formula: C15H19BrN2O
Average molar mass: 323.23 g/mol
Monoisotopic mass: 322.06808

Names & identifiers

Preferred name: 1-(4-(4-Bromo-3,5-dimethylphenyl)-1H-pyrazol-1-yl)-2-methylpropan-2-ol
IUPAC: 1-[4-(4-bromo-3,5-dimethylphenyl)pyrazol-1-yl]-2-methylpropan-2-ol

Names & synonyms

SCHEMBL15262270FYYJLUYAWFNXDM-UHFFFAOYSA-NDB-1663551-(4-(4-Bromo-3,5-dimethylphenyl)-1H-pyrazol-1-yl)-2-methylpropan-2-ol4-(4-Bromo-3,5-dimethylphenyl)-alpha,alpha-dimethyl-1H-pyrazole-1-ethanol1458655-14-5

Database identifiers

PubChem CID: 86697237

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 38.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 19
Formal charge: 0
Complexity: 299

Related reactions

2 records

New reaction record

HRID 237573As productuspto-grants-2014_02

HRID 237574As reactantuspto-grants-2014_02

Compound notes

Loading…