N-(2-phenylethyl)-3-(pyrazol-1-ylmethyl)benzamide

C19H19N3O — CID 35764030

IUPACN-(2-phenylethyl)-3-(pyrazol-1-ylmethyl)benzamide
SMILESO=C(NCCc1ccccc1)c1cccc(Cn2cccn2)c1
InChIInChI=1S/C19H19N3O/c23-19(20-12-10-16-6-2-1-3-7-16)18-9-4-8-17(14-18)15-22-13-5-11-21-22/h1-9,11,13-14H,10,12,15H2,(H,20,23)
InChIKeyPJOCTZOOAQIBRJ-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.90
Rot. Bonds6

About N-(2-phenylethyl)-3-(pyrazol-1-ylmethyl)benzamide

N-(2-phenylethyl)-3-(pyrazol-1-ylmethyl)benzamide (PubChem CID 35764030) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is N-(2-phenylethyl)-3-(pyrazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-3-(pyrazol-1-ylmethyl)benzamide
PubChem CID35764030
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC NameN-(2-phenylethyl)-3-(pyrazol-1-ylmethyl)benzamide
SMILESO=C(NCCc1ccccc1)c1cccc(Cn2cccn2)c1
InChIInChI=1S/C19H19N3O/c23-19(20-12-10-16-6-2-1-3-7-16)18-9-4-8-17(14-18)15-22-13-5-11-21-22/h1-9,11,13-14H,10,12,15H2,(H,20,23)
InChIKeyPJOCTZOOAQIBRJ-UHFFFAOYSA-N
XLogP2.90
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-propoxyethyl)-3-(pyrazol-1-ylmethyl)benzamide
CID 70772428
N-[3-(1,3-benzoxazol-2-yl)propyl]-3-(pyrazol-1-ylmethyl)benzamide
CID 70780672
N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-3-(pyrazol-1-ylmethyl)benzamide
CID 56909821
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-(pyrazol-1-ylmethyl)benzamide
CID 70742800
N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-3-(pyrazol-1-ylmethyl)benzamide
CID 50953115
3-(aminomethyl)-N-(2-pyrazol-1-ylethyl)benzamide
CID 54951124
3-N-benzyl-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide
CID 109054092
N-[(3-methylthiophen-2-yl)methyl]-3-(pyrazol-1-ylmethyl)benzamide
CID 50956025
3-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-(2-phenylethyl)benzamide
CID 39082665
1-methyl-N-propyl-4-[[3-(pyrazol-1-ylmethyl)benzoyl]amino]pyrazole-5-carboxamide
CID 19396361
3-(2-phenylethyl)-N-propylbenzamide
CID 67214540
N-[2-(3,4-diethoxyphenyl)ethyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 55488337

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-3-(pyrazol-1-ylmethyl)benzamide?
The IUPAC name of N-(2-phenylethyl)-3-(pyrazol-1-ylmethyl)benzamide (CID 35764030) is N-(2-phenylethyl)-3-(pyrazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-(2-phenylethyl)-3-(pyrazol-1-ylmethyl)benzamide?
The canonical SMILES for N-(2-phenylethyl)-3-(pyrazol-1-ylmethyl)benzamide is O=C(NCCc1ccccc1)c1cccc(Cn2cccn2)c1.
What is the InChIKey of N-(2-phenylethyl)-3-(pyrazol-1-ylmethyl)benzamide?
The InChIKey is PJOCTZOOAQIBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c23-19(20-12-10-16-6-2-1-3-7-16)18-9-4-8-17(14-18)15-22-13-5-11-21-22/h1-9,11,13-14H,10,12,15H2,(H,20,23).
What are the key properties of N-(2-phenylethyl)-3-(pyrazol-1-ylmethyl)benzamide?
N-(2-phenylethyl)-3-(pyrazol-1-ylmethyl)benzamide has a molecular weight of 305.38 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-3-(pyrazol-1-ylmethyl)benzamide is sourced from PubChem (CID 35764030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).