3-oxo-2-phenyl-1H-pyrazole-5-carboxylic acid

C10H8N2O3 — CID 9167391

IUPAC3-oxo-2-phenyl-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(=O)n(-c2ccccc2)[nH]1
InChIInChI=1S/C10H8N2O3/c13-9-6-8(10(14)15)11-12(9)7-4-2-1-3-5-7/h1-6,11H,(H,14,15)
InChIKeySIVDWYOIVRKZPG-UHFFFAOYSA-N
MW204.19 g/mol
LogP0.86
Rot. Bonds2

About 3-oxo-2-phenyl-1H-pyrazole-5-carboxylic acid

3-oxo-2-phenyl-1H-pyrazole-5-carboxylic acid (PubChem CID 9167391) has the molecular formula C10H8N2O3 and a molecular weight of 204.19 g/mol. Its IUPAC name is 3-oxo-2-phenyl-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-oxo-2-phenyl-1H-pyrazole-5-carboxylic acid
PubChem CID9167391
Molecular FormulaC10H8N2O3
Molecular Weight204.19 g/mol
Exact Mass204.05
IUPAC Name3-oxo-2-phenyl-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(=O)n(-c2ccccc2)[nH]1
InChIInChI=1S/C10H8N2O3/c13-9-6-8(10(14)15)11-12(9)7-4-2-1-3-5-7/h1-6,11H,(H,14,15)
InChIKeySIVDWYOIVRKZPG-UHFFFAOYSA-N
XLogP0.86
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1H-Pyrazol-5-ol, 3-methyl-1-phenyl-
CID 70335
6-hydroxy-2-phenylpyridazin-3(2H)-one
CID 74333
5-Hydroxy-1-(3-(trifluoromethyl)phenyl)-1H-pyrazole-3-carboxylic acid
CID 83557584
3-tert-butyl-1-phenyl-1H-pyrazol-5-ol
CID 849362
methyl (5-hydroxy-1-phenyl-1H-pyrazol-3-yl)acetate
CID 715399
1-(4-chlorophenyl)-5-oxo-2,5-dihydro-1H-pyrazole-3-carboxylic acid
CID 17609321
Maleic acid anilide
CID 1550938
1-(3,4-dimethylphenyl)-5-oxo-2,5-dihydro-1H-pyrazole-3-carboxylic acid
CID 45496344
1-(4-Bromophenyl)-5-hydroxy-1H-pyrazole-3-carboxylic acid
CID 83558505
1-(3-Bromophenyl)-5-hydroxy-1H-pyrazole-3-carboxylic acid
CID 83558507
2-(3-methylphenyl)-3-oxo-1H-pyrazole-5-carboxylic acid
CID 20256962
4-Oxo-4-(phenylamino)-2-butenoic acid
CID 668160

Frequently Asked Questions

What is the IUPAC name of 3-oxo-2-phenyl-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-oxo-2-phenyl-1H-pyrazole-5-carboxylic acid (CID 9167391) is 3-oxo-2-phenyl-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-oxo-2-phenyl-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-oxo-2-phenyl-1H-pyrazole-5-carboxylic acid is O=C(O)c1cc(=O)n(-c2ccccc2)[nH]1.
What is the InChIKey of 3-oxo-2-phenyl-1H-pyrazole-5-carboxylic acid?
The InChIKey is SIVDWYOIVRKZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3/c13-9-6-8(10(14)15)11-12(9)7-4-2-1-3-5-7/h1-6,11H,(H,14,15).
What are the key properties of 3-oxo-2-phenyl-1H-pyrazole-5-carboxylic acid?
3-oxo-2-phenyl-1H-pyrazole-5-carboxylic acid has a molecular weight of 204.19 g/mol, XLogP of 0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-2-phenyl-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 9167391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).