4-Hydroxyantipyrine
C₁₁H₁₂N₂O₂·204.220 g/mol·CID 98889
IUPAC: 4-hydroxy-1,5-dimethyl-2-phenylpyrazol-3-one
Also known as: 1672-63-5, DPZ41NV570, NSC-174055, DTXSID70168242, 3H-Pyrazol-3-one, 1,2-dihydro-4-hydroxy-1,5-dimethyl-2-phenyl- (+14 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
204.220g/mol
Exact Mass
204.089878Da
Monoisotopic Mass
204.089878Da
XLogP
0.5
Polar Surface Area
43.8Ų
Complexity
306
Formal Charge
0
H-Bond Donors
1
H-Bond Acceptors
3
Rotatable Bonds
1
Heavy Atoms
15
Stereo Centers
0
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 204.2 g/mol
MW ≤ 500
✓ 0.5
LogP ≤ 5
✓ 1
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.
Chemical IdentifiersSMILES · InChI
InChI
InChI=1S/C11H12N2O2/c1-8-10(14)11(15)13(12(8)2)9-6-4-3-5-7-9/h3-7,14H,1-2H3
Isomers8 compounds with formula C₁₁H₁₂N₂O₂
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid
CID 6305 · 204.2 g/mol
3-ethyl-5-phenylimidazolidine-2,4-dione
CID 3292 · 204.2 g/mol
(2R)-2-amino-3-(1H-indol-3-yl)propanoic acid
CID 9060 · 204.2 g/mol
2-amino-3-(1H-indol-3-yl)propanoic acid
CID 1148 · 204.2 g/mol
2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole
CID 54459 · 204.2 g/mol
2-azaniumyl-3-(1H-indol-3-yl)propanoate
CID 4099458 · 204.2 g/mol
5-ethyl-5-phenylimidazolidine-2,4-dione
CID 91480 · 204.2 g/mol
(2S)-2-azaniumyl-3-(1H-indol-3-yl)propanoate
CID 6923516 · 204.2 g/mol