3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide

C17H15N3O — CID 2360724

IUPAC3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2C(N)=O)cc1
InChIInChI=1S/C17H15N3O/c1-12-7-9-13(10-8-12)16-15(17(18)21)11-20(19-16)14-5-3-2-4-6-14/h2-11H,1H3,(H2,18,21)
InChIKeyDAUSSUIGVKTKNL-UHFFFAOYSA-N
MW277.33 g/mol
LogP2.95
Rot. Bonds3

About 3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide

3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide (PubChem CID 2360724) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
PubChem CID2360724
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2C(N)=O)cc1
InChIInChI=1S/C17H15N3O/c1-12-7-9-13(10-8-12)16-15(17(18)21)11-20(19-16)14-5-3-2-4-6-14/h2-11H,1H3,(H2,18,21)
InChIKeyDAUSSUIGVKTKNL-UHFFFAOYSA-N
XLogP2.95
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide;propanoic acid
CID 175080965
3-(4-methylphenyl)-1-phenylpyrazole-4-carbonyl chloride
CID 12965031
1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 883433
N-benzyl-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 1340356
N-(4-acetamidophenyl)-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 9110013
[2-(methylamino)-2-oxoethyl] 3-(4-methylphenyl)-1-phenylpyrazole-4-carboxylate
CID 8908453
3-(4-methylphenyl)-1-phenyl-N-phenylmethoxypyrazole-4-carboxamide
CID 155553556
[1-(4-methylphenyl)-3-phenylpyrazol-4-yl]-pyrrolidin-1-ylmethanone
CID 29200834
1-[4-[1-(4-methylphenyl)-3-phenylpyrazole-4-carbonyl]piperazin-1-yl]ethanone
CID 29202210
1-phenyl-3-(4-propan-2-ylphenyl)pyrazole-4-carboxylic acid
CID 3710502
N-[4-(2-amino-2-oxoethyl)phenyl]-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide
CID 31858323
[2-(methylcarbamoylamino)-2-oxoethyl] 3-(4-methylphenyl)-1-phenylpyrazole-4-carboxylate
CID 7847187

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide (CID 2360724) is 3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide is Cc1ccc(-c2nn(-c3ccccc3)cc2C(N)=O)cc1.
What is the InChIKey of 3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is DAUSSUIGVKTKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c1-12-7-9-13(10-8-12)16-15(17(18)21)11-20(19-16)14-5-3-2-4-6-14/h2-11H,1H3,(H2,18,21).
What are the key properties of 3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide?
3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 277.33 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 2360724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).