4-fluoro-1H-pyrazole-3-carboxylic acid
C₄H₃FN₂O₂·130.080 g/mol·CID 55298956
IUPAC: 4-fluoro-1H-pyrazole-5-carboxylic acid
Also known as: 881668-91-3, RefChem:523037, 868-587-3, 4-fluoropyrazole-3-carboxylic acid, 4-fluoro-1H-pyrazole-5-carboxylic acid (+14 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
130.080g/mol
Exact Mass
130.017855Da
Monoisotopic Mass
130.017855Da
XLogP
0.2
Polar Surface Area
66.0Ų
Complexity
130
Formal Charge
0
H-Bond Donors
2
H-Bond Acceptors
4
Rotatable Bonds
1
Heavy Atoms
9
Stereo Centers
0
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 130.1 g/mol
MW ≤ 500
✓ 0.2
LogP ≤ 5
✓ 2
H-bond donors ≤ 5
✓ 4
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.
Isomers8 compounds with formula C₄H₃FN₂O₂
5-fluoro-1H-pyrimidine-2,4-dione
CID 3385 · 130.1 g/mol
5-fluoro-(1,3-15N2)1H-pyrimidine-2,4-dione
CID 16213520 · 132.1 g/mol
5-fluoro-1H-imidazole-4-carboxylic acid
CID 582575 · 130.1 g/mol
6-fluoro-1H-pyrimidine-2,4-dione
CID 352912 · 130.1 g/mol
5-fluoro-1H-pyrazole-3-carboxylic acid
CID 130299149 · 130.1 g/mol
5-(18F)fluoro-1H-pyrimidine-2,4-dione
CID 450213 · 129.1 g/mol
5-fluoro-4-hydroxy-1H-pyrimidin-6-one
CID 11182621 · 130.1 g/mol
1-fluoropyrimidine-2,4-dione
CID 14907381 · 130.1 g/mol