N-(2,5-dimethylphenyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide

C23H20N4O — CID 8712640

IUPACN-(2,5-dimethylphenyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)c1
InChIInChI=1S/C23H20N4O/c1-16-10-11-17(2)21(13-16)25-23(28)20-15-27(19-8-4-3-5-9-19)26-22(20)18-7-6-12-24-14-18/h3-15H,1-2H3,(H,25,28)
InChIKeyXDNAQKHQBJGMFG-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.80
Rot. Bonds4

About N-(2,5-dimethylphenyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide

N-(2,5-dimethylphenyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide (PubChem CID 8712640) has the molecular formula C23H20N4O and a molecular weight of 368.44 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
PubChem CID8712640
Molecular FormulaC23H20N4O
Molecular Weight368.44 g/mol
Exact Mass368.16
IUPAC NameN-(2,5-dimethylphenyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)c1
InChIInChI=1S/C23H20N4O/c1-16-10-11-17(2)21(13-16)25-23(28)20-15-27(19-8-4-3-5-9-19)26-22(20)18-7-6-12-24-14-18/h3-15H,1-2H3,(H,25,28)
InChIKeyXDNAQKHQBJGMFG-UHFFFAOYSA-N
XLogP4.80
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dimethylphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 19281305
N-(2,3-dimethylphenyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 8714286
N-(5-fluoro-2-methylphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 7777734
N-(3-acetamido-4-methylphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 55784527
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 27167143
N-cyclopentyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 9208931
3-(3-chlorophenyl)-N-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 154929741
ethyl N-[(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)amino]carbamate
CID 51218944
N-(3-methoxypropyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 27556068
1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 883433
N-cycloheptyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 9268455
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 46527452

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide (CID 8712640) is N-(2,5-dimethylphenyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide is Cc1ccc(C)c(NC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide?
The InChIKey is XDNAQKHQBJGMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O/c1-16-10-11-17(2)21(13-16)25-23(28)20-15-27(19-8-4-3-5-9-19)26-22(20)18-7-6-12-24-14-18/h3-15H,1-2H3,(H,25,28).
What are the key properties of N-(2,5-dimethylphenyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide?
N-(2,5-dimethylphenyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide is sourced from PubChem (CID 8712640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).