N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide

C23H24N6O — CID 56583372

IUPACN-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESCc1nccn1Cc1ccc(NC(=O)c2cnn(-c3ccccn3)c2C(C)C)cc1
InChIInChI=1S/C23H24N6O/c1-16(2)22-20(14-26-29(22)21-6-4-5-11-25-21)23(30)27-19-9-7-18(8-10-19)15-28-13-12-24-17(28)3/h4-14,16H,15H2,1-3H3,(H,27,30)
InChIKeyQEKZMAXOKHIKPW-UHFFFAOYSA-N
MW400.49 g/mol
LogP4.20
Rot. Bonds6

About N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide

N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide (PubChem CID 56583372) has the molecular formula C23H24N6O and a molecular weight of 400.49 g/mol. Its IUPAC name is N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
PubChem CID56583372
Molecular FormulaC23H24N6O
Molecular Weight400.49 g/mol
Exact Mass400.20
IUPAC NameN-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESCc1nccn1Cc1ccc(NC(=O)c2cnn(-c3ccccn3)c2C(C)C)cc1
InChIInChI=1S/C23H24N6O/c1-16(2)22-20(14-26-29(22)21-6-4-5-11-25-21)23(30)27-19-9-7-18(8-10-19)15-28-13-12-24-17(28)3/h4-14,16H,15H2,1-3H3,(H,27,30)
InChIKeyQEKZMAXOKHIKPW-UHFFFAOYSA-N
XLogP4.20
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

S-[4-[(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]phenyl] N,N-dimethylcarbamothioate
CID 56579701
N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 55971679
N-[4-(dimethylamino)-3-methylphenyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 55672662
5-methyl-N-[4-(3-methylbutanoylamino)phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide
CID 46546318
5-propan-2-yl-N-[(4-propan-2-yloxyphenyl)methyl]-1-pyridin-2-ylpyrazole-4-carboxamide
CID 55651429
N-cyclopent-3-en-1-yl-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 126813900
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 46427415
N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 55666499
N-(5-chloro-1-methylpyrazol-4-yl)-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 126834415
ethyl N-[(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]carbamate
CID 46429270
2-(2-methoxyanilino)-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]pyridine-3-carboxamide
CID 56585498
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 38032304

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide (CID 56583372) is N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide is Cc1nccn1Cc1ccc(NC(=O)c2cnn(-c3ccccn3)c2C(C)C)cc1.
What is the InChIKey of N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide?
The InChIKey is QEKZMAXOKHIKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O/c1-16(2)22-20(14-26-29(22)21-6-4-5-11-25-21)23(30)27-19-9-7-18(8-10-19)15-28-13-12-24-17(28)3/h4-14,16H,15H2,1-3H3,(H,27,30).
What are the key properties of N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide?
N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide has a molecular weight of 400.49 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 56583372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).