N-[(1,3-diphenylpyrazol-4-yl)methyl]-N,6-dimethylpyridine-2-carboxamide

C24H22N4O — CID 32771148

IUPACN-[(1,3-diphenylpyrazol-4-yl)methyl]-N,6-dimethylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)N(C)Cc2cn(-c3ccccc3)nc2-c2ccccc2)n1
InChIInChI=1S/C24H22N4O/c1-18-10-9-15-22(25-18)24(29)27(2)16-20-17-28(21-13-7-4-8-14-21)26-23(20)19-11-5-3-6-12-19/h3-15,17H,16H2,1-2H3
InChIKeyZJLIWSZASCHVQU-UHFFFAOYSA-N
MW382.47 g/mol
LogP4.51
Rot. Bonds5

About N-[(1,3-diphenylpyrazol-4-yl)methyl]-N,6-dimethylpyridine-2-carboxamide

N-[(1,3-diphenylpyrazol-4-yl)methyl]-N,6-dimethylpyridine-2-carboxamide (PubChem CID 32771148) has the molecular formula C24H22N4O and a molecular weight of 382.47 g/mol. Its IUPAC name is N-[(1,3-diphenylpyrazol-4-yl)methyl]-N,6-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1,3-diphenylpyrazol-4-yl)methyl]-N,6-dimethylpyridine-2-carboxamide
PubChem CID32771148
Molecular FormulaC24H22N4O
Molecular Weight382.47 g/mol
Exact Mass382.18
IUPAC NameN-[(1,3-diphenylpyrazol-4-yl)methyl]-N,6-dimethylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)N(C)Cc2cn(-c3ccccc3)nc2-c2ccccc2)n1
InChIInChI=1S/C24H22N4O/c1-18-10-9-15-22(25-18)24(29)27(2)16-20-17-28(21-13-7-4-8-14-21)26-23(20)19-11-5-3-6-12-19/h3-15,17H,16H2,1-2H3
InChIKeyZJLIWSZASCHVQU-UHFFFAOYSA-N
XLogP4.51
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 31333953
N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N,3-dimethylbenzamide
CID 18205415
methyl 5-[(1,3-diphenylpyrazol-4-yl)methyl-methylcarbamoyl]thiophene-2-carboxylate
CID 35187589
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-1,3-benzodioxole-5-carboxamide
CID 9140790
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N,4-dimethylpentanamide
CID 46523369
N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-(2-methoxyethoxy)-N-methylbenzamide
CID 55996599
N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-(3-fluorophenyl)-N-methylacetamide
CID 9140809
N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-4-methoxy-N-methylbenzamide
CID 18292471
N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-ethyl-N-methyl-4-oxophthalazine-1-carboxamide
CID 39763829
N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-4-fluoro-N-methylbenzamide
CID 18209870
N'-[(1,3-diphenylpyrazol-4-yl)methyl]-N'-methyl-N-propylbutanediamide
CID 56538169
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-6-pyrazol-1-ylpyridine-3-carboxamide
CID 55531708

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-diphenylpyrazol-4-yl)methyl]-N,6-dimethylpyridine-2-carboxamide?
The IUPAC name of N-[(1,3-diphenylpyrazol-4-yl)methyl]-N,6-dimethylpyridine-2-carboxamide (CID 32771148) is N-[(1,3-diphenylpyrazol-4-yl)methyl]-N,6-dimethylpyridine-2-carboxamide.
What is the SMILES notation for N-[(1,3-diphenylpyrazol-4-yl)methyl]-N,6-dimethylpyridine-2-carboxamide?
The canonical SMILES for N-[(1,3-diphenylpyrazol-4-yl)methyl]-N,6-dimethylpyridine-2-carboxamide is Cc1cccc(C(=O)N(C)Cc2cn(-c3ccccc3)nc2-c2ccccc2)n1.
What is the InChIKey of N-[(1,3-diphenylpyrazol-4-yl)methyl]-N,6-dimethylpyridine-2-carboxamide?
The InChIKey is ZJLIWSZASCHVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O/c1-18-10-9-15-22(25-18)24(29)27(2)16-20-17-28(21-13-7-4-8-14-21)26-23(20)19-11-5-3-6-12-19/h3-15,17H,16H2,1-2H3.
What are the key properties of N-[(1,3-diphenylpyrazol-4-yl)methyl]-N,6-dimethylpyridine-2-carboxamide?
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N,6-dimethylpyridine-2-carboxamide has a molecular weight of 382.47 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-diphenylpyrazol-4-yl)methyl]-N,6-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 32771148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).