General
Preferred name
PD157939
Synonyms
4-Hydroxymethylpyrazole ()
1H-Pyrazole-4-methanol ()
P&D ID
PD157939
CAS
25222-43-9
Tags
available
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION 4-Hydroxymethylpyrazole is the primary metabolite of Fomepizole (HY-B0876). Fomepizole is a competitive inhibitor of the enzyme alcohol dehydrogenase[1].
Compound Sets
2
MedChem Express Bioactive Compound Library
HY-33914
Selleckchem Bioactive Compound Library
4-hydroxymethylpyrazole
External IDs
17
Properties
(calculated by RDKit )
Molecular Weight
98.05
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
2
Rotatable Bonds
1
Ring Count
1
Aromatic Ring Count
1
cLogP
-0.1
TPSA
48.91
Fraction CSP3
0.25
Chiral centers
0.0
Largest ring
5.0
QED
0.52
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Target
Drug Metabolite
Endogenous Metabolite
Pathway
Metabolic Enzyme/Protease
Source data