5-methyl-1,3-diphenyl-N,N-di(propan-2-yl)pyrazole-4-carboxamide

C23H27N3O — CID 3079315

IUPAC5-methyl-1,3-diphenyl-N,N-di(propan-2-yl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)N(C(C)C)C(C)C)c(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C23H27N3O/c1-16(2)25(17(3)4)23(27)21-18(5)26(20-14-10-7-11-15-20)24-22(21)19-12-8-6-9-13-19/h6-17H,1-5H3
InChIKeyAVHLXTKZXKTGJM-UHFFFAOYSA-N
MW361.49 g/mol
LogP5.11
Rot. Bonds5

About 5-methyl-1,3-diphenyl-N,N-di(propan-2-yl)pyrazole-4-carboxamide

5-methyl-1,3-diphenyl-N,N-di(propan-2-yl)pyrazole-4-carboxamide (PubChem CID 3079315) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is 5-methyl-1,3-diphenyl-N,N-di(propan-2-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-1,3-diphenyl-N,N-di(propan-2-yl)pyrazole-4-carboxamide
PubChem CID3079315
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC Name5-methyl-1,3-diphenyl-N,N-di(propan-2-yl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)N(C(C)C)C(C)C)c(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C23H27N3O/c1-16(2)25(17(3)4)23(27)21-18(5)26(20-14-10-7-11-15-20)24-22(21)19-12-8-6-9-13-19/h6-17H,1-5H3
InChIKeyAVHLXTKZXKTGJM-UHFFFAOYSA-N
XLogP5.11
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.49
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-methyl-1,3-diphenyl-N,N-di(propan-2-yl)pyrazole-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

5-methyl-1,3-diphenylpyrazole-4-carboxylic acid
CID 673680
N,5-dimethyl-1,3-diphenylpyrazole-4-carboxamide
CID 19473549
5-methyl-1,3-diphenylpyrazole-4-carboxylate
CID 4739263
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide
CID 19473347
N,5-dimethyl-N-[(3-methylphenyl)methyl]-1,3-diphenylpyrazole-4-carboxamide
CID 143069710
methyl 1-(4-fluorophenyl)-5-methyl-3-phenylpyrazole-4-carboxylate
CID 50901872
5-methyl-1,3-diphenyl-N-(2-piperidin-1-ylethyl)pyrazole-4-carboxamide
CID 4016241
N-(3-hydroxyphenyl)-5-methyl-1,3-diphenylpyrazole-4-carboxamide
CID 19473579
N-(2,3-dimethylphenyl)-5-methyl-1,3-diphenylpyrazole-4-carboxamide
CID 19473295
5-methyl-3-phenyl-N,N-di(propan-2-yl)-1,2-oxazole-4-carboxamide
CID 4525526
(5-methyl-1,3-diphenylpyrazol-4-yl)-morpholin-4-ylmethanone
CID 3079318
5-methyl-1,3-diphenyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 143069575

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,3-diphenyl-N,N-di(propan-2-yl)pyrazole-4-carboxamide?
The IUPAC name of 5-methyl-1,3-diphenyl-N,N-di(propan-2-yl)pyrazole-4-carboxamide (CID 3079315) is 5-methyl-1,3-diphenyl-N,N-di(propan-2-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-1,3-diphenyl-N,N-di(propan-2-yl)pyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-1,3-diphenyl-N,N-di(propan-2-yl)pyrazole-4-carboxamide is Cc1c(C(=O)N(C(C)C)C(C)C)c(-c2ccccc2)nn1-c1ccccc1.
What is the InChIKey of 5-methyl-1,3-diphenyl-N,N-di(propan-2-yl)pyrazole-4-carboxamide?
The InChIKey is AVHLXTKZXKTGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O/c1-16(2)25(17(3)4)23(27)21-18(5)26(20-14-10-7-11-15-20)24-22(21)19-12-8-6-9-13-19/h6-17H,1-5H3.
What are the key properties of 5-methyl-1,3-diphenyl-N,N-di(propan-2-yl)pyrazole-4-carboxamide?
5-methyl-1,3-diphenyl-N,N-di(propan-2-yl)pyrazole-4-carboxamide has a molecular weight of 361.49 g/mol, XLogP of 5.11, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,3-diphenyl-N,N-di(propan-2-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 3079315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).