N-benzyl-3-pyrazol-1-ylbenzamide

C17H15N3O — CID 110698131

IUPACN-benzyl-3-pyrazol-1-ylbenzamide
SMILESO=C(NCc1ccccc1)c1cccc(-n2cccn2)c1
InChIInChI=1S/C17H15N3O/c21-17(18-13-14-6-2-1-3-7-14)15-8-4-9-16(12-15)20-11-5-10-19-20/h1-12H,13H2,(H,18,21)
InChIKeyAVEZZLOJITZWLR-UHFFFAOYSA-N
MW277.33 g/mol
LogP2.80
Rot. Bonds4

About N-benzyl-3-pyrazol-1-ylbenzamide

N-benzyl-3-pyrazol-1-ylbenzamide (PubChem CID 110698131) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is N-benzyl-3-pyrazol-1-ylbenzamide.

Molecular Properties

Compound NameN-benzyl-3-pyrazol-1-ylbenzamide
PubChem CID110698131
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC NameN-benzyl-3-pyrazol-1-ylbenzamide
SMILESO=C(NCc1ccccc1)c1cccc(-n2cccn2)c1
InChIInChI=1S/C17H15N3O/c21-17(18-13-14-6-2-1-3-7-14)15-8-4-9-16(12-15)20-11-5-10-19-20/h1-12H,13H2,(H,18,21)
InChIKeyAVEZZLOJITZWLR-UHFFFAOYSA-N
XLogP2.80
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-3-pyrazol-1-ylbenzamide
CID 110698140
3-pyrazol-1-yl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzamide
CID 121018137
N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-pyrazol-1-ylbenzamide
CID 50954392
N-[(6-methylpyrimidin-4-yl)methyl]-3-pyrazol-1-ylbenzamide
CID 122263530
3-pyrazol-1-yl-N-([1,2,4]triazolo[1,5-a]pyridin-5-ylmethyl)benzamide
CID 163319479
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-pyrazol-1-ylbenzamide
CID 111423679
N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3-pyrazol-1-ylbenzamide
CID 121022690
N-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-3-pyrazol-1-ylbenzamide
CID 122162690
N-[(1-phenylpyrazol-4-yl)methyl]-4-pyrazol-1-ylbenzamide
CID 17483211
3-pyrazol-1-yl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]benzamide
CID 121195995
2,3-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]quinoxaline-6-carboxamide
CID 55703032
N-[2-(4-methoxyphenyl)ethyl]-3-pyrazol-1-ylbenzamide
CID 110698153

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-pyrazol-1-ylbenzamide?
The IUPAC name of N-benzyl-3-pyrazol-1-ylbenzamide (CID 110698131) is N-benzyl-3-pyrazol-1-ylbenzamide.
What is the SMILES notation for N-benzyl-3-pyrazol-1-ylbenzamide?
The canonical SMILES for N-benzyl-3-pyrazol-1-ylbenzamide is O=C(NCc1ccccc1)c1cccc(-n2cccn2)c1.
What is the InChIKey of N-benzyl-3-pyrazol-1-ylbenzamide?
The InChIKey is AVEZZLOJITZWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c21-17(18-13-14-6-2-1-3-7-14)15-8-4-9-16(12-15)20-11-5-10-19-20/h1-12H,13H2,(H,18,21).
What are the key properties of N-benzyl-3-pyrazol-1-ylbenzamide?
N-benzyl-3-pyrazol-1-ylbenzamide has a molecular weight of 277.33 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-pyrazol-1-ylbenzamide is sourced from PubChem (CID 110698131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).