N-(1-benzyl-3,5-dimethylpyrazol-4-yl)pyridine-3-carboxamide

C18H18N4O — CID 35524107

IUPACN-(1-benzyl-3,5-dimethylpyrazol-4-yl)pyridine-3-carboxamide
SMILESCc1nn(Cc2ccccc2)c(C)c1NC(=O)c1cccnc1
InChIInChI=1S/C18H18N4O/c1-13-17(20-18(23)16-9-6-10-19-11-16)14(2)22(21-13)12-15-7-4-3-5-8-15/h3-11H,12H2,1-2H3,(H,20,23)
InChIKeyCGYYCCDBAPQQBO-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.20
Rot. Bonds4

About N-(1-benzyl-3,5-dimethylpyrazol-4-yl)pyridine-3-carboxamide

N-(1-benzyl-3,5-dimethylpyrazol-4-yl)pyridine-3-carboxamide (PubChem CID 35524107) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is N-(1-benzyl-3,5-dimethylpyrazol-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-benzyl-3,5-dimethylpyrazol-4-yl)pyridine-3-carboxamide
PubChem CID35524107
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC NameN-(1-benzyl-3,5-dimethylpyrazol-4-yl)pyridine-3-carboxamide
SMILESCc1nn(Cc2ccccc2)c(C)c1NC(=O)c1cccnc1
InChIInChI=1S/C18H18N4O/c1-13-17(20-18(23)16-9-6-10-19-11-16)14(2)22(21-13)12-15-7-4-3-5-8-15/h3-11H,12H2,1-2H3,(H,20,23)
InChIKeyCGYYCCDBAPQQBO-UHFFFAOYSA-N
XLogP3.20
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3,5-dimethoxybenzamide
CID 19335776
N-[1-[(3-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]pyridine-4-carboxamide
CID 35521557
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzamide
CID 19335845
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-4-(difluoromethoxy)benzamide
CID 19335756
N-[1-[(2,4-dichlorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]pyridine-3-carboxamide
CID 39853354
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-(4-methylbenzoyl)benzamide
CID 19335881
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-6-methoxynaphthalene-2-carboxamide
CID 167835152
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-(4-chlorobenzoyl)benzamide
CID 19335882
4-[(1-benzyl-3,5-dimethylpyrazol-4-yl)carbamoyl]-1-methylpyrazole-5-carboxylic acid
CID 19496108
4-[(1-benzyl-3,5-dimethylpyrazol-4-yl)carbamoyl]-1-methylpyrazole-3-carboxylic acid
CID 19498502
N-[3-[[(E)-3-(1-benzyl-5-chloro-3-methylpyrazol-4-yl)prop-2-enoyl]amino]phenyl]pyridine-3-carboxamide
CID 39679425
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-4-[(3-chlorophenoxy)methyl]benzamide
CID 19335847

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-3,5-dimethylpyrazol-4-yl)pyridine-3-carboxamide?
The IUPAC name of N-(1-benzyl-3,5-dimethylpyrazol-4-yl)pyridine-3-carboxamide (CID 35524107) is N-(1-benzyl-3,5-dimethylpyrazol-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(1-benzyl-3,5-dimethylpyrazol-4-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(1-benzyl-3,5-dimethylpyrazol-4-yl)pyridine-3-carboxamide is Cc1nn(Cc2ccccc2)c(C)c1NC(=O)c1cccnc1.
What is the InChIKey of N-(1-benzyl-3,5-dimethylpyrazol-4-yl)pyridine-3-carboxamide?
The InChIKey is CGYYCCDBAPQQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-13-17(20-18(23)16-9-6-10-19-11-16)14(2)22(21-13)12-15-7-4-3-5-8-15/h3-11H,12H2,1-2H3,(H,20,23).
What are the key properties of N-(1-benzyl-3,5-dimethylpyrazol-4-yl)pyridine-3-carboxamide?
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)pyridine-3-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-3,5-dimethylpyrazol-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 35524107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).