N-(3-hydroxybutyl)-4-(pyrazol-1-ylmethyl)benzamide

C15H19N3O2 — CID 111429261

IUPACN-(3-hydroxybutyl)-4-(pyrazol-1-ylmethyl)benzamide
SMILESCC(O)CCNC(=O)c1ccc(Cn2cccn2)cc1
InChIInChI=1S/C15H19N3O2/c1-12(19)7-9-16-15(20)14-5-3-13(4-6-14)11-18-10-2-8-17-18/h2-6,8,10,12,19H,7,9,11H2,1H3,(H,16,20)
InChIKeyAMXBLVRFXJRDTO-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.43
Rot. Bonds6

About N-(3-hydroxybutyl)-4-(pyrazol-1-ylmethyl)benzamide

N-(3-hydroxybutyl)-4-(pyrazol-1-ylmethyl)benzamide (PubChem CID 111429261) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-(3-hydroxybutyl)-4-(pyrazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(3-hydroxybutyl)-4-(pyrazol-1-ylmethyl)benzamide
PubChem CID111429261
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-(3-hydroxybutyl)-4-(pyrazol-1-ylmethyl)benzamide
SMILESCC(O)CCNC(=O)c1ccc(Cn2cccn2)cc1
InChIInChI=1S/C15H19N3O2/c1-12(19)7-9-16-15(20)14-5-3-13(4-6-14)11-18-10-2-8-17-18/h2-6,8,10,12,19H,7,9,11H2,1H3,(H,16,20)
InChIKeyAMXBLVRFXJRDTO-UHFFFAOYSA-N
XLogP1.43
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S)-3-hydroxy-4,4-dimethylpentyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 95741014
N-(2-methylpropyl)-4-(pyrazol-1-ylmethyl)benzamide
CID 18136496
N-(5-methylhexan-2-yl)-4-(pyrazol-1-ylmethyl)benzamide
CID 46688121
4-methyl-2-[[[4-(pyrazol-1-ylmethyl)benzoyl]amino]methyl]pentanoic acid
CID 119252819
3-[[4-(pyrazol-1-ylmethyl)benzoyl]amino]butanoic acid
CID 119220723
4-(pyrazol-1-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide
CID 18136267
N-(4-hydroxypentyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 107300126
N-ethyl-4-[4-(pyrazol-1-ylmethyl)phenyl]sulfonylbenzamide
CID 174850179
4-hydroxy-N-(3-hydroxybutyl)benzamide
CID 64912837
N-[2-(3,4-diethoxyphenyl)ethyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 55488337
N-[3-(4-hydroxypiperidin-1-yl)propyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 111429668
4-ethoxy-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 25403941

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxybutyl)-4-(pyrazol-1-ylmethyl)benzamide?
The IUPAC name of N-(3-hydroxybutyl)-4-(pyrazol-1-ylmethyl)benzamide (CID 111429261) is N-(3-hydroxybutyl)-4-(pyrazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-(3-hydroxybutyl)-4-(pyrazol-1-ylmethyl)benzamide?
The canonical SMILES for N-(3-hydroxybutyl)-4-(pyrazol-1-ylmethyl)benzamide is CC(O)CCNC(=O)c1ccc(Cn2cccn2)cc1.
What is the InChIKey of N-(3-hydroxybutyl)-4-(pyrazol-1-ylmethyl)benzamide?
The InChIKey is AMXBLVRFXJRDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-12(19)7-9-16-15(20)14-5-3-13(4-6-14)11-18-10-2-8-17-18/h2-6,8,10,12,19H,7,9,11H2,1H3,(H,16,20).
What are the key properties of N-(3-hydroxybutyl)-4-(pyrazol-1-ylmethyl)benzamide?
N-(3-hydroxybutyl)-4-(pyrazol-1-ylmethyl)benzamide has a molecular weight of 273.34 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxybutyl)-4-(pyrazol-1-ylmethyl)benzamide is sourced from PubChem (CID 111429261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).