1H-Pyrazole-4-carboxylic acid
C₄H₄N₂O₂·112.090 g/mol·CID 3015937
IUPAC: 1H-pyrazole-4-carboxylic acid
Also known as: 37718-11-9, 4-CARBOXYPYRAZOLE, Pyrazole-4-carboxylic Acid, 4XJZ84GV8E, DTXSID10191150 (+14 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
112.090g/mol
Exact Mass
112.027277Da
Monoisotopic Mass
112.027277Da
XLogP
-0.3
Polar Surface Area
66.0Ų
Complexity
104
Formal Charge
0
H-Bond Donors
2
H-Bond Acceptors
3
Rotatable Bonds
1
Heavy Atoms
8
Stereo Centers
0
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 112.1 g/mol
MW ≤ 500
✓ -0.3
LogP ≤ 5
✓ 2
H-bond donors ≤ 5
✓ 3
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
GHS Hazard Classification
Warning
Hazards
H315Causes skin irritationH319Causes serious eye irritationH335May cause respiratory irritation
Source: PubChem GHS Classification. Always consult the SDS for handling.