N-[(4-chlorophenyl)methyl]-3-pyrazol-1-ylbenzamide

C17H14ClN3O — CID 110698140

IUPACN-[(4-chlorophenyl)methyl]-3-pyrazol-1-ylbenzamide
SMILESO=C(NCc1ccc(Cl)cc1)c1cccc(-n2cccn2)c1
InChIInChI=1S/C17H14ClN3O/c18-15-7-5-13(6-8-15)12-19-17(22)14-3-1-4-16(11-14)21-10-2-9-20-21/h1-11H,12H2,(H,19,22)
InChIKeyGAIGOCIGVNAJGR-UHFFFAOYSA-N
MW311.77 g/mol
LogP3.46
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-3-pyrazol-1-ylbenzamide

N-[(4-chlorophenyl)methyl]-3-pyrazol-1-ylbenzamide (PubChem CID 110698140) has the molecular formula C17H14ClN3O and a molecular weight of 311.77 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-3-pyrazol-1-ylbenzamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-3-pyrazol-1-ylbenzamide
PubChem CID110698140
Molecular FormulaC17H14ClN3O
Molecular Weight311.77 g/mol
Exact Mass311.08
IUPAC NameN-[(4-chlorophenyl)methyl]-3-pyrazol-1-ylbenzamide
SMILESO=C(NCc1ccc(Cl)cc1)c1cccc(-n2cccn2)c1
InChIInChI=1S/C17H14ClN3O/c18-15-7-5-13(6-8-15)12-19-17(22)14-3-1-4-16(11-14)21-10-2-9-20-21/h1-11H,12H2,(H,19,22)
InChIKeyGAIGOCIGVNAJGR-UHFFFAOYSA-N
XLogP3.46
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-3-pyrazol-1-ylbenzamide
CID 110698131
4-chloro-3-iodo-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide
CID 55711340
3-pyrazol-1-yl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzamide
CID 121018137
1-[(4-chlorophenyl)methyl]-2-methyl-3-[(3-pyrazol-1-ylphenyl)methyl]guanidine
CID 111792129
N-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-3-pyrazol-1-ylbenzamide
CID 122162690
N-[(4-chlorophenyl)methyl]-3-pyrazol-1-ylaniline
CID 43739916
N-[(4-chlorophenyl)methyl]-3-(5-methyltetrazol-1-yl)benzamide
CID 56762738
2,3-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]quinoxaline-6-carboxamide
CID 55703032
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-(4-methoxyphenyl)ethyl]-3-pyrazol-1-ylbenzamide
CID 110698153
N-[[5-(furan-2-yl)-3-pyridinyl]methyl]-3-pyrazol-1-ylbenzamide
CID 121022690

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-3-pyrazol-1-ylbenzamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-3-pyrazol-1-ylbenzamide (CID 110698140) is N-[(4-chlorophenyl)methyl]-3-pyrazol-1-ylbenzamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-3-pyrazol-1-ylbenzamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-3-pyrazol-1-ylbenzamide is O=C(NCc1ccc(Cl)cc1)c1cccc(-n2cccn2)c1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-3-pyrazol-1-ylbenzamide?
The InChIKey is GAIGOCIGVNAJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O/c18-15-7-5-13(6-8-15)12-19-17(22)14-3-1-4-16(11-14)21-10-2-9-20-21/h1-11H,12H2,(H,19,22).
What are the key properties of N-[(4-chlorophenyl)methyl]-3-pyrazol-1-ylbenzamide?
N-[(4-chlorophenyl)methyl]-3-pyrazol-1-ylbenzamide has a molecular weight of 311.77 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-3-pyrazol-1-ylbenzamide is sourced from PubChem (CID 110698140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).