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

C17H14N2O2 — CID 673680

IUPAC5-methyl-1,3-diphenylpyrazole-4-carboxylic acid
SMILESCc1c(C(=O)O)c(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C17H14N2O2/c1-12-15(17(20)21)16(13-8-4-2-5-9-13)18-19(12)14-10-6-3-7-11-14/h2-11H,1H3,(H,20,21)
InChIKeyFWIYNXGMTSTQBJ-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.55
Rot. Bonds3

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

5-methyl-1,3-diphenylpyrazole-4-carboxylic acid (PubChem CID 673680) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 5-methyl-1,3-diphenylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-methyl-1,3-diphenylpyrazole-4-carboxylic acid
PubChem CID673680
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name5-methyl-1,3-diphenylpyrazole-4-carboxylic acid
SMILESCc1c(C(=O)O)c(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C17H14N2O2/c1-12-15(17(20)21)16(13-8-4-2-5-9-13)18-19(12)14-10-6-3-7-11-14/h2-11H,1H3,(H,20,21)
InChIKeyFWIYNXGMTSTQBJ-UHFFFAOYSA-N
XLogP3.55
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-1,3-diphenylpyrazole-4-carboxylate
CID 4739263
N,5-dimethyl-1,3-diphenylpyrazole-4-carboxamide
CID 19473549
5-methyl-1,3-diphenyl-N,N-di(propan-2-yl)pyrazole-4-carboxamide
CID 3079315
(5-methyl-1,3-diphenylpyrazol-4-yl)-morpholin-4-ylmethanone
CID 3079318
1,3-bis(4-methylphenyl)-5-phenylpyrazole-4-carboxylic acid
CID 3816890
1-(4-methoxyphenyl)-5-methyl-3-pyridin-4-ylpyrazole-4-carboxylic acid
CID 3608503
5-methyl-1,3,4-triphenylpyrazole
CID 1202580
4,5-dimethyl-1,3-diphenylpyrazole
CID 13258584
5-methyl-1,3-diphenyl-N-(2-piperidin-1-ylethyl)pyrazole-4-carboxamide
CID 4016241
4-methyl-1-(5-methyl-1,3-diphenylpyrazole-4-carbonyl)-1,4-diazepan-5-one
CID 42331686
N-(3-hydroxyphenyl)-5-methyl-1,3-diphenylpyrazole-4-carboxamide
CID 19473579
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide
CID 19473347

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,3-diphenylpyrazole-4-carboxylic acid?
The IUPAC name of 5-methyl-1,3-diphenylpyrazole-4-carboxylic acid (CID 673680) is 5-methyl-1,3-diphenylpyrazole-4-carboxylic acid.
What is the SMILES notation for 5-methyl-1,3-diphenylpyrazole-4-carboxylic acid?
The canonical SMILES for 5-methyl-1,3-diphenylpyrazole-4-carboxylic acid is Cc1c(C(=O)O)c(-c2ccccc2)nn1-c1ccccc1.
What is the InChIKey of 5-methyl-1,3-diphenylpyrazole-4-carboxylic acid?
The InChIKey is FWIYNXGMTSTQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c1-12-15(17(20)21)16(13-8-4-2-5-9-13)18-19(12)14-10-6-3-7-11-14/h2-11H,1H3,(H,20,21).
What are the key properties of 5-methyl-1,3-diphenylpyrazole-4-carboxylic acid?
5-methyl-1,3-diphenylpyrazole-4-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,3-diphenylpyrazole-4-carboxylic acid is sourced from PubChem (CID 673680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).