3-oxo-2,5-diphenyl-1H-pyrazole-4-carboxylic acid

C16H12N2O3 — CID 2384841

IUPAC3-oxo-2,5-diphenyl-1H-pyrazole-4-carboxylic acid
SMILESO=C(O)c1c(-c2ccccc2)[nH]n(-c2ccccc2)c1=O
InChIInChI=1S/C16H12N2O3/c19-15-13(16(20)21)14(11-7-3-1-4-8-11)17-18(15)12-9-5-2-6-10-12/h1-10,17H,(H,20,21)
InChIKeyKFVXTMXGYABNAE-UHFFFAOYSA-N
MW280.28 g/mol
LogP2.53
Rot. Bonds3

About 3-oxo-2,5-diphenyl-1H-pyrazole-4-carboxylic acid

3-oxo-2,5-diphenyl-1H-pyrazole-4-carboxylic acid (PubChem CID 2384841) has the molecular formula C16H12N2O3 and a molecular weight of 280.28 g/mol. Its IUPAC name is 3-oxo-2,5-diphenyl-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name3-oxo-2,5-diphenyl-1H-pyrazole-4-carboxylic acid
PubChem CID2384841
Molecular FormulaC16H12N2O3
Molecular Weight280.28 g/mol
Exact Mass280.08
IUPAC Name3-oxo-2,5-diphenyl-1H-pyrazole-4-carboxylic acid
SMILESO=C(O)c1c(-c2ccccc2)[nH]n(-c2ccccc2)c1=O
InChIInChI=1S/C16H12N2O3/c19-15-13(16(20)21)14(11-7-3-1-4-8-11)17-18(15)12-9-5-2-6-10-12/h1-10,17H,(H,20,21)
InChIKeyKFVXTMXGYABNAE-UHFFFAOYSA-N
XLogP2.53
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-Diphenyl-1H-pyrazol-5-OL
CID 245736
Antipyric acid
CID 246564
Cambridge id 6972374
CID 766763
4-Benzylidene-1-phenyl-pyrazolidine-3,5-dione
CID 834001
4-Benzyl-2-oxo-1,2-dihydroquinoline-3-carboxylic acid
CID 17865255
2-(3-methylphenyl)-3-oxo-1H-pyrazole-5-carboxylic acid
CID 20256962
1-(4-methylphenyl)-5-oxo-2,5-dihydro-1H-pyrazole-3-carboxylic acid
CID 17609320
4-Benzyliden-1-phenyl-3,5-dioxopyrazolidine
CID 316119
3-Methyl-1-phenyl-4-cinnamoyl-1H-pyrazole-5-ol
CID 14452664
3-Oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxylic acid
CID 12485380
2-methyl-3-[(N-methylanilino)methyl]-5-oxo-1H-pyrazole-4-carboxylic acid
CID 155522278
1H-Pyrazole-4-carboxylic acid, 2,3-dihydro-3-oxo-1-phenyl-
CID 10465499

Frequently Asked Questions

What is the IUPAC name of 3-oxo-2,5-diphenyl-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 3-oxo-2,5-diphenyl-1H-pyrazole-4-carboxylic acid (CID 2384841) is 3-oxo-2,5-diphenyl-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 3-oxo-2,5-diphenyl-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 3-oxo-2,5-diphenyl-1H-pyrazole-4-carboxylic acid is O=C(O)c1c(-c2ccccc2)[nH]n(-c2ccccc2)c1=O.
What is the InChIKey of 3-oxo-2,5-diphenyl-1H-pyrazole-4-carboxylic acid?
The InChIKey is KFVXTMXGYABNAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O3/c19-15-13(16(20)21)14(11-7-3-1-4-8-11)17-18(15)12-9-5-2-6-10-12/h1-10,17H,(H,20,21).
What are the key properties of 3-oxo-2,5-diphenyl-1H-pyrazole-4-carboxylic acid?
3-oxo-2,5-diphenyl-1H-pyrazole-4-carboxylic acid has a molecular weight of 280.28 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-2,5-diphenyl-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 2384841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).