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

C24H21N3O — CID 1340356

IUPACN-benzyl-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C24H21N3O/c1-18-12-14-20(15-13-18)23-22(17-27(26-23)21-10-6-3-7-11-21)24(28)25-16-19-8-4-2-5-9-19/h2-15,17H,16H2,1H3,(H,25,28)
InChIKeyMXIWVWQTPXKCLU-UHFFFAOYSA-N
MW367.45 g/mol
LogP4.78
Rot. Bonds5

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

N-benzyl-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide (PubChem CID 1340356) has the molecular formula C24H21N3O and a molecular weight of 367.45 g/mol. Its IUPAC name is N-benzyl-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
PubChem CID1340356
Molecular FormulaC24H21N3O
Molecular Weight367.45 g/mol
Exact Mass367.17
IUPAC NameN-benzyl-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C24H21N3O/c1-18-12-14-20(15-13-18)23-22(17-27(26-23)21-10-6-3-7-11-21)24(28)25-16-19-8-4-2-5-9-19/h2-15,17H,16H2,1H3,(H,25,28)
InChIKeyMXIWVWQTPXKCLU-UHFFFAOYSA-N
XLogP4.78
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-benzyl-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxamide
CID 1356321
1-(4-methylphenyl)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-3-phenylpyrazole-4-carboxamide
CID 33116947
3-(2-methoxyphenyl)-N-[(4-methylphenyl)methyl]-1-phenylpyrazole-4-carboxamide
CID 8781230
3-(4-methylphenyl)-1-phenyl-N-phenylmethoxypyrazole-4-carboxamide
CID 155553556
N-[2-(benzylamino)-2-oxoethyl]-3-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 55676140
N-[(3,5-dimethoxyphenyl)methyl]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 55576920
N-[(2-methoxy-3-pyridinyl)methyl]-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide
CID 38533366
N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-3-(4-ethylphenyl)-1-phenylpyrazole-4-carboxamide
CID 60516734
1-(4-methylphenyl)-3-phenyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrazole-4-carboxamide
CID 46917444
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,3-diphenylpyrazole-4-carboxamide
CID 87043447
1-(4-methylphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylpyrazole-4-carboxamide
CID 30604207
N-(4-acetamidophenyl)-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 9110013

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-benzyl-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide (CID 1340356) is N-benzyl-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-benzyl-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-benzyl-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide is Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is MXIWVWQTPXKCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O/c1-18-12-14-20(15-13-18)23-22(17-27(26-23)21-10-6-3-7-11-21)24(28)25-16-19-8-4-2-5-9-19/h2-15,17H,16H2,1H3,(H,25,28).
What are the key properties of N-benzyl-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide?
N-benzyl-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 1340356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).