4-hydroxy-1-phenyl-N-(propan-2-ylideneamino)pyrazole-3-carboxamide

C13H14N4O2 — CID 71898477

IUPAC4-hydroxy-1-phenyl-N-(propan-2-ylideneamino)pyrazole-3-carboxamide
SMILESCC(C)=NNC(=O)c1nn(-c2ccccc2)cc1O
InChIInChI=1S/C13H14N4O2/c1-9(2)14-15-13(19)12-11(18)8-17(16-12)10-6-4-3-5-7-10/h3-8,18H,1-2H3,(H,15,19)
InChIKeyTWXJPVHVYLOQJB-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.70
Rot. Bonds3

About 4-hydroxy-1-phenyl-N-(propan-2-ylideneamino)pyrazole-3-carboxamide

4-hydroxy-1-phenyl-N-(propan-2-ylideneamino)pyrazole-3-carboxamide (PubChem CID 71898477) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 4-hydroxy-1-phenyl-N-(propan-2-ylideneamino)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-1-phenyl-N-(propan-2-ylideneamino)pyrazole-3-carboxamide
PubChem CID71898477
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name4-hydroxy-1-phenyl-N-(propan-2-ylideneamino)pyrazole-3-carboxamide
SMILESCC(C)=NNC(=O)c1nn(-c2ccccc2)cc1O
InChIInChI=1S/C13H14N4O2/c1-9(2)14-15-13(19)12-11(18)8-17(16-12)10-6-4-3-5-7-10/h3-8,18H,1-2H3,(H,15,19)
InChIKeyTWXJPVHVYLOQJB-UHFFFAOYSA-N
XLogP1.70
TPSA79.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-N'-pentanoyl-1-phenylpyrazole-3-carbohydrazide
CID 17478623
N-[3-(aminomethyl)pentan-3-yl]-4-hydroxy-1-phenylpyrazole-3-carboxamide
CID 119568712
N-[[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-4-hydroxy-1-phenylpyrazole-3-carboxamide
CID 129431954
N'-(2,5-dimethylfuran-3-carbonyl)-4-hydroxy-1-phenylpyrazole-3-carbohydrazide
CID 17415770
4-hydroxy-1-phenyl-N'-(thiophene-3-carbonyl)pyrazole-3-carbohydrazide
CID 9452480
4-hydroxy-N-(3-methyl-1,1-dioxothiolan-3-yl)-1-phenylpyrazole-3-carboxamide
CID 119032239
(3S)-3-[(4-hydroxy-1-phenylpyrazole-3-carbonyl)amino]-3-(2-methylphenyl)propanoic acid
CID 71458888
N-[(4-fluoro-3-methylphenyl)methyl]-4-hydroxy-1-phenylpyrazole-3-carboxamide
CID 112806377
N'-[2-(4-chlorophenyl)acetyl]-4-hydroxy-1-phenylpyrazole-3-carbohydrazide
CID 17483063
N-(3-chloro-4-methoxyphenyl)-4-hydroxy-1-phenylpyrazole-3-carboxamide
CID 112803447
N'-(4-hydroxy-1-phenylpyrazole-3-carbonyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carbohydrazide
CID 46657487
N-[furan-2-yl(phenyl)methyl]-4-hydroxy-1-phenylpyrazole-3-carboxamide
CID 112798255

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-phenyl-N-(propan-2-ylideneamino)pyrazole-3-carboxamide?
The IUPAC name of 4-hydroxy-1-phenyl-N-(propan-2-ylideneamino)pyrazole-3-carboxamide (CID 71898477) is 4-hydroxy-1-phenyl-N-(propan-2-ylideneamino)pyrazole-3-carboxamide.
What is the SMILES notation for 4-hydroxy-1-phenyl-N-(propan-2-ylideneamino)pyrazole-3-carboxamide?
The canonical SMILES for 4-hydroxy-1-phenyl-N-(propan-2-ylideneamino)pyrazole-3-carboxamide is CC(C)=NNC(=O)c1nn(-c2ccccc2)cc1O.
What is the InChIKey of 4-hydroxy-1-phenyl-N-(propan-2-ylideneamino)pyrazole-3-carboxamide?
The InChIKey is TWXJPVHVYLOQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-9(2)14-15-13(19)12-11(18)8-17(16-12)10-6-4-3-5-7-10/h3-8,18H,1-2H3,(H,15,19).
What are the key properties of 4-hydroxy-1-phenyl-N-(propan-2-ylideneamino)pyrazole-3-carboxamide?
4-hydroxy-1-phenyl-N-(propan-2-ylideneamino)pyrazole-3-carboxamide has a molecular weight of 258.28 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-phenyl-N-(propan-2-ylideneamino)pyrazole-3-carboxamide is sourced from PubChem (CID 71898477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).