N-(5-methylhexan-2-yl)-4-(pyrazol-1-ylmethyl)benzamide

C18H25N3O — CID 46688121

IUPACN-(5-methylhexan-2-yl)-4-(pyrazol-1-ylmethyl)benzamide
SMILESCC(C)CCC(C)NC(=O)c1ccc(Cn2cccn2)cc1
InChIInChI=1S/C18H25N3O/c1-14(2)5-6-15(3)20-18(22)17-9-7-16(8-10-17)13-21-12-4-11-19-21/h4,7-12,14-15H,5-6,13H2,1-3H3,(H,20,22)
InChIKeyCJKFYRJLGFNAPO-UHFFFAOYSA-N
MW299.42 g/mol
LogP3.49
Rot. Bonds7

About N-(5-methylhexan-2-yl)-4-(pyrazol-1-ylmethyl)benzamide

N-(5-methylhexan-2-yl)-4-(pyrazol-1-ylmethyl)benzamide (PubChem CID 46688121) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is N-(5-methylhexan-2-yl)-4-(pyrazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(5-methylhexan-2-yl)-4-(pyrazol-1-ylmethyl)benzamide
PubChem CID46688121
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC NameN-(5-methylhexan-2-yl)-4-(pyrazol-1-ylmethyl)benzamide
SMILESCC(C)CCC(C)NC(=O)c1ccc(Cn2cccn2)cc1
InChIInChI=1S/C18H25N3O/c1-14(2)5-6-15(3)20-18(22)17-9-7-16(8-10-17)13-21-12-4-11-19-21/h4,7-12,14-15H,5-6,13H2,1-3H3,(H,20,22)
InChIKeyCJKFYRJLGFNAPO-UHFFFAOYSA-N
XLogP3.49
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(5-methylhexan-2-yl)-4-(pyrazol-1-ylmethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[4-(pyrazol-1-ylmethyl)benzoyl]amino]butanoic acid
CID 119220723
N-(2-methylpropyl)-4-(pyrazol-1-ylmethyl)benzamide
CID 18136496
N-(1,1-diphenylpropan-2-yl)-4-(pyrazol-1-ylmethyl)benzamide
CID 46432019
N-(3-hydroxybutyl)-4-(pyrazol-1-ylmethyl)benzamide
CID 111429261
N-[(1R)-1-(furan-2-yl)ethyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 42102024
N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-4-(pyrazol-1-ylmethyl)benzamide
CID 94668085
4-(aminomethyl)-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 43695373
[2-(6-methylheptan-2-ylamino)-2-oxoethyl] 4-(pyrazol-1-ylmethyl)benzoate
CID 18158301
N-(2-hydroxy-1-phenylethyl)-4-(pyrazol-1-ylmethyl)benzamide
CID 110001285
4-methyl-2-[[[4-(pyrazol-1-ylmethyl)benzoyl]amino]methyl]pentanoic acid
CID 119252819
4-(methylsulfonylmethyl)-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]benzamide
CID 38607203
N-[(3S)-3-hydroxy-4,4-dimethylpentyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 95741014

Frequently Asked Questions

What is the IUPAC name of N-(5-methylhexan-2-yl)-4-(pyrazol-1-ylmethyl)benzamide?
The IUPAC name of N-(5-methylhexan-2-yl)-4-(pyrazol-1-ylmethyl)benzamide (CID 46688121) is N-(5-methylhexan-2-yl)-4-(pyrazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-(5-methylhexan-2-yl)-4-(pyrazol-1-ylmethyl)benzamide?
The canonical SMILES for N-(5-methylhexan-2-yl)-4-(pyrazol-1-ylmethyl)benzamide is CC(C)CCC(C)NC(=O)c1ccc(Cn2cccn2)cc1.
What is the InChIKey of N-(5-methylhexan-2-yl)-4-(pyrazol-1-ylmethyl)benzamide?
The InChIKey is CJKFYRJLGFNAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-14(2)5-6-15(3)20-18(22)17-9-7-16(8-10-17)13-21-12-4-11-19-21/h4,7-12,14-15H,5-6,13H2,1-3H3,(H,20,22).
What are the key properties of N-(5-methylhexan-2-yl)-4-(pyrazol-1-ylmethyl)benzamide?
N-(5-methylhexan-2-yl)-4-(pyrazol-1-ylmethyl)benzamide has a molecular weight of 299.42 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylhexan-2-yl)-4-(pyrazol-1-ylmethyl)benzamide is sourced from PubChem (CID 46688121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).