3-methyl-5-oxo-1,2-diphenylpyrazole-4-carboxylic acid

C17H14N2O3 — CID 766763

IUPAC3-methyl-5-oxo-1,2-diphenylpyrazole-4-carboxylic acid
SMILESCc1c(C(=O)O)c(=O)n(-c2ccccc2)n1-c1ccccc1
InChIInChI=1S/C17H14N2O3/c1-12-15(17(21)22)16(20)19(14-10-6-3-7-11-14)18(12)13-8-4-2-5-9-13/h2-11H,1H3,(H,21,22)
InChIKeyHDKCTCQUUVIOHE-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.63
Rot. Bonds3

About 3-methyl-5-oxo-1,2-diphenylpyrazole-4-carboxylic acid

3-methyl-5-oxo-1,2-diphenylpyrazole-4-carboxylic acid (PubChem CID 766763) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is 3-methyl-5-oxo-1,2-diphenylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name3-methyl-5-oxo-1,2-diphenylpyrazole-4-carboxylic acid
PubChem CID766763
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Name3-methyl-5-oxo-1,2-diphenylpyrazole-4-carboxylic acid
SMILESCc1c(C(=O)O)c(=O)n(-c2ccccc2)n1-c1ccccc1
InChIInChI=1S/C17H14N2O3/c1-12-15(17(21)22)16(20)19(14-10-6-3-7-11-14)18(12)13-8-4-2-5-9-13/h2-11H,1H3,(H,21,22)
InChIKeyHDKCTCQUUVIOHE-UHFFFAOYSA-N
XLogP2.63
TPSA64.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Fluorophenyl)-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid
CID 612407
3,5-Pyrazolidinedione, 1,2-diphenyl-4-isopropylidene-
CID 96342
Antipyric acid
CID 246564
3,5-Pyrazolidinedione, 4-sec-butylidene-1,2-diphenyl-
CID 213503
5-methyl-3-oxo-1,2-diphenyl-2,3-dihydro-1H-pyrazole-4-carbaldehyde
CID 766762
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
3H-Pyrazol-3-one, 1,2-dihydro-4-(hydroxymethyl)-1,5-dimethyl-2-phenyl-
CID 12247705
1-(4-Fluorophenyl)-6-methyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid
CID 21081529
1-(2-Fluorophenyl)-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid
CID 612505
3-oxo-2,5-diphenyl-1H-pyrazole-4-carboxylic acid
CID 2384841
(E)-2-methyl-3-(N-phenylanilino)pent-2-enoic acid
CID 12385696

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-oxo-1,2-diphenylpyrazole-4-carboxylic acid?
The IUPAC name of 3-methyl-5-oxo-1,2-diphenylpyrazole-4-carboxylic acid (CID 766763) is 3-methyl-5-oxo-1,2-diphenylpyrazole-4-carboxylic acid.
What is the SMILES notation for 3-methyl-5-oxo-1,2-diphenylpyrazole-4-carboxylic acid?
The canonical SMILES for 3-methyl-5-oxo-1,2-diphenylpyrazole-4-carboxylic acid is Cc1c(C(=O)O)c(=O)n(-c2ccccc2)n1-c1ccccc1.
What is the InChIKey of 3-methyl-5-oxo-1,2-diphenylpyrazole-4-carboxylic acid?
The InChIKey is HDKCTCQUUVIOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c1-12-15(17(21)22)16(20)19(14-10-6-3-7-11-14)18(12)13-8-4-2-5-9-13/h2-11H,1H3,(H,21,22).
What are the key properties of 3-methyl-5-oxo-1,2-diphenylpyrazole-4-carboxylic acid?
3-methyl-5-oxo-1,2-diphenylpyrazole-4-carboxylic acid has a molecular weight of 294.31 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-oxo-1,2-diphenylpyrazole-4-carboxylic acid is sourced from PubChem (CID 766763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).