N-benzyl-5-methyl-1,3-diphenylpyrazole-4-carboxamide

C24H21N3O — CID 997622

IUPACN-benzyl-5-methyl-1,3-diphenylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NCc2ccccc2)c(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C24H21N3O/c1-18-22(24(28)25-17-19-11-5-2-6-12-19)23(20-13-7-3-8-14-20)26-27(18)21-15-9-4-10-16-21/h2-16H,17H2,1H3,(H,25,28)
InChIKeyXWQSBCAVIUGPBQ-UHFFFAOYSA-N
MW367.45 g/mol
LogP4.78
Rot. Bonds5

About N-benzyl-5-methyl-1,3-diphenylpyrazole-4-carboxamide

N-benzyl-5-methyl-1,3-diphenylpyrazole-4-carboxamide (PubChem CID 997622) has the molecular formula C24H21N3O and a molecular weight of 367.45 g/mol. Its IUPAC name is N-benzyl-5-methyl-1,3-diphenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-methyl-1,3-diphenylpyrazole-4-carboxamide
PubChem CID997622
Molecular FormulaC24H21N3O
Molecular Weight367.45 g/mol
Exact Mass367.17
IUPAC NameN-benzyl-5-methyl-1,3-diphenylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NCc2ccccc2)c(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C24H21N3O/c1-18-22(24(28)25-17-19-11-5-2-6-12-19)23(20-13-7-3-8-14-20)26-27(18)21-15-9-4-10-16-21/h2-16H,17H2,1H3,(H,25,28)
InChIKeyXWQSBCAVIUGPBQ-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

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Related Compounds

N4-(4-fluorophenyl)-1-phenyl-5-propyl-1H-pyrazole-4-carboxamide
CID 2808002
N-(4-{3-[2-(methylcarbamoyl)ethyl]-5-[4'-(trifluoromethyl)-[1,1'-biphenyl]-4-yl]-1H-pyrazol-1-yl}phenyl)prop-2-ynamide
CID 139593556
5-methyl-N,1-diphenylpyrazole-4-carboxamide
CID 827598
N-(2,4-difluorophenyl)-1-phenyl-5-propyl-1H-pyrazole-4-carboxamide
CID 2811411
N-(3-methylphenyl)-1,3-diphenyl-1H-pyrazole-4-carboxamide
CID 3510494
1H-Pyrazole-4-acetamide, 3,5-dimethyl-1-phenyl-N-(phenylmethyl)-
CID 3079322
N-ethyl-4-(3-methyl-5-phenyl-1H-pyrazol-1-yl)benzamide
CID 826946
(3R)-3-amino-4-(2,5-difluorophenyl)-1-[1-(4-fluorophenyl)-3-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]butan-1-one
CID 23645923
(3R)-3-amino-4-(2,5-difluorophenyl)-1-[2-(4-fluorophenyl)-3-methyl-2H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]butan-1-one
CID 23645924
hCB1 Inhibitor, 2{1,1,8}
CID 11465875
hCB1 Inhibitor, 2{6,1,1}
CID 11475910
3-cyclopropyl-N-[2-(2-ethylanilino)-2-oxoethyl]-1-phenylpyrazole-5-carboxamide
CID 9205925

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-methyl-1,3-diphenylpyrazole-4-carboxamide?
The IUPAC name of N-benzyl-5-methyl-1,3-diphenylpyrazole-4-carboxamide (CID 997622) is N-benzyl-5-methyl-1,3-diphenylpyrazole-4-carboxamide.
What is the SMILES notation for N-benzyl-5-methyl-1,3-diphenylpyrazole-4-carboxamide?
The canonical SMILES for N-benzyl-5-methyl-1,3-diphenylpyrazole-4-carboxamide is Cc1c(C(=O)NCc2ccccc2)c(-c2ccccc2)nn1-c1ccccc1.
What is the InChIKey of N-benzyl-5-methyl-1,3-diphenylpyrazole-4-carboxamide?
The InChIKey is XWQSBCAVIUGPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O/c1-18-22(24(28)25-17-19-11-5-2-6-12-19)23(20-13-7-3-8-14-20)26-27(18)21-15-9-4-10-16-21/h2-16H,17H2,1H3,(H,25,28).
What are the key properties of N-benzyl-5-methyl-1,3-diphenylpyrazole-4-carboxamide?
N-benzyl-5-methyl-1,3-diphenylpyrazole-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-5-methyl-1,3-diphenylpyrazole-4-carboxamide is sourced from PubChem (CID 997622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).