N-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]-N-methylpyridine-3-carboxamide

C25H24N4O — CID 32688509

IUPACN-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]-N-methylpyridine-3-carboxamide
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2CN(C)C(=O)c2cccnc2)cc1C
InChIInChI=1S/C25H24N4O/c1-18-11-12-20(14-19(18)2)24-22(17-29(27-24)23-9-5-4-6-10-23)16-28(3)25(30)21-8-7-13-26-15-21/h4-15,17H,16H2,1-3H3
InChIKeyNECBVTMSZRDNBN-UHFFFAOYSA-N
MW396.49 g/mol
LogP4.82
Rot. Bonds5

About N-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]-N-methylpyridine-3-carboxamide

N-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]-N-methylpyridine-3-carboxamide (PubChem CID 32688509) has the molecular formula C25H24N4O and a molecular weight of 396.49 g/mol. Its IUPAC name is N-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]-N-methylpyridine-3-carboxamide
PubChem CID32688509
Molecular FormulaC25H24N4O
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC NameN-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]-N-methylpyridine-3-carboxamide
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2CN(C)C(=O)c2cccnc2)cc1C
InChIInChI=1S/C25H24N4O/c1-18-11-12-20(14-19(18)2)24-22(17-29(27-24)23-9-5-4-6-10-23)16-28(3)25(30)21-8-7-13-26-15-21/h4-15,17H,16H2,1-3H3
InChIKeyNECBVTMSZRDNBN-UHFFFAOYSA-N
XLogP4.82
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide
CID 41277650
N-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]-2-imidazol-1-yl-N-methylpropanamide
CID 47047950
3-amino-N-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]-N-methylbutanamide;hydrochloride
CID 119696316
N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N,3-dimethylbenzamide
CID 18205415
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-6-pyrazol-1-ylpyridine-3-carboxamide
CID 55531708
2-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methylsulfanyl]acetic acid
CID 34881763
N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-4-fluoro-N-methylbenzamide
CID 18209870
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-1,3-benzodioxole-5-carboxamide
CID 9140790
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N,6-dimethylpyridine-2-carboxamide
CID 32771148
N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-4-methoxy-N-methylbenzamide
CID 18292471
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide
CID 46492219
N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-4-(tetrazol-1-yl)benzamide
CID 29465073

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]-N-methylpyridine-3-carboxamide?
The IUPAC name of N-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]-N-methylpyridine-3-carboxamide (CID 32688509) is N-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]-N-methylpyridine-3-carboxamide?
The canonical SMILES for N-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]-N-methylpyridine-3-carboxamide is Cc1ccc(-c2nn(-c3ccccc3)cc2CN(C)C(=O)c2cccnc2)cc1C.
What is the InChIKey of N-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]-N-methylpyridine-3-carboxamide?
The InChIKey is NECBVTMSZRDNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O/c1-18-11-12-20(14-19(18)2)24-22(17-29(27-24)23-9-5-4-6-10-23)16-28(3)25(30)21-8-7-13-26-15-21/h4-15,17H,16H2,1-3H3.
What are the key properties of N-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]-N-methylpyridine-3-carboxamide?
N-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]-N-methylpyridine-3-carboxamide has a molecular weight of 396.49 g/mol, XLogP of 4.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 32688509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).