N-(2-methylpropyl)-4-(pyrazol-1-ylmethyl)benzamide

C15H19N3O — CID 18136496

IUPACN-(2-methylpropyl)-4-(pyrazol-1-ylmethyl)benzamide
SMILESCC(C)CNC(=O)c1ccc(Cn2cccn2)cc1
InChIInChI=1S/C15H19N3O/c1-12(2)10-16-15(19)14-6-4-13(5-7-14)11-18-9-3-8-17-18/h3-9,12H,10-11H2,1-2H3,(H,16,19)
InChIKeyLQOZGVGGVVPHAR-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.32
Rot. Bonds5

About N-(2-methylpropyl)-4-(pyrazol-1-ylmethyl)benzamide

N-(2-methylpropyl)-4-(pyrazol-1-ylmethyl)benzamide (PubChem CID 18136496) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-(2-methylpropyl)-4-(pyrazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-4-(pyrazol-1-ylmethyl)benzamide
PubChem CID18136496
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-(2-methylpropyl)-4-(pyrazol-1-ylmethyl)benzamide
SMILESCC(C)CNC(=O)c1ccc(Cn2cccn2)cc1
InChIInChI=1S/C15H19N3O/c1-12(2)10-16-15(19)14-6-4-13(5-7-14)11-18-9-3-8-17-18/h3-9,12H,10-11H2,1-2H3,(H,16,19)
InChIKeyLQOZGVGGVVPHAR-UHFFFAOYSA-N
XLogP2.32
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-2-[[[4-(pyrazol-1-ylmethyl)benzoyl]amino]methyl]pentanoic acid
CID 119252819
N-(3-hydroxybutyl)-4-(pyrazol-1-ylmethyl)benzamide
CID 111429261
N-(5-methylhexan-2-yl)-4-(pyrazol-1-ylmethyl)benzamide
CID 46688121
3-[[4-(pyrazol-1-ylmethyl)benzoyl]amino]butanoic acid
CID 119220723
4-[(4-bromopyrazol-1-yl)methyl]-N-(2-methylpropyl)benzamide
CID 35529421
4-(pyrazol-1-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide
CID 18136267
N-ethyl-4-[4-(pyrazol-1-ylmethyl)phenyl]sulfonylbenzamide
CID 174850179
N-[(3S)-3-hydroxy-4,4-dimethylpentyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 95741014
N-(1,1-diphenylpropan-2-yl)-4-(pyrazol-1-ylmethyl)benzamide
CID 46432019
4-ethoxy-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 25403941
N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 60551856
4-(pyrazol-1-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 18136251

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-4-(pyrazol-1-ylmethyl)benzamide?
The IUPAC name of N-(2-methylpropyl)-4-(pyrazol-1-ylmethyl)benzamide (CID 18136496) is N-(2-methylpropyl)-4-(pyrazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-(2-methylpropyl)-4-(pyrazol-1-ylmethyl)benzamide?
The canonical SMILES for N-(2-methylpropyl)-4-(pyrazol-1-ylmethyl)benzamide is CC(C)CNC(=O)c1ccc(Cn2cccn2)cc1.
What is the InChIKey of N-(2-methylpropyl)-4-(pyrazol-1-ylmethyl)benzamide?
The InChIKey is LQOZGVGGVVPHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-12(2)10-16-15(19)14-6-4-13(5-7-14)11-18-9-3-8-17-18/h3-9,12H,10-11H2,1-2H3,(H,16,19).
What are the key properties of N-(2-methylpropyl)-4-(pyrazol-1-ylmethyl)benzamide?
N-(2-methylpropyl)-4-(pyrazol-1-ylmethyl)benzamide has a molecular weight of 257.34 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-4-(pyrazol-1-ylmethyl)benzamide is sourced from PubChem (CID 18136496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).