N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]benzamide

C16H12ClN3O — CID 794166

IUPACN-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]benzamide
SMILESO=C(Nc1cc(-c2ccc(Cl)cc2)[nH]n1)c1ccccc1
InChIInChI=1S/C16H12ClN3O/c17-13-8-6-11(7-9-13)14-10-15(20-19-14)18-16(21)12-4-2-1-3-5-12/h1-10H,(H2,18,19,20,21)
InChIKeyBHJKTBUGWNYLLO-UHFFFAOYSA-N
MW297.75 g/mol
LogP3.98
Rot. Bonds3

About N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]benzamide

N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]benzamide (PubChem CID 794166) has the molecular formula C16H12ClN3O and a molecular weight of 297.75 g/mol. Its IUPAC name is N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]benzamide.

Molecular Properties

Compound NameN-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]benzamide
PubChem CID794166
Molecular FormulaC16H12ClN3O
Molecular Weight297.75 g/mol
Exact Mass297.07
IUPAC NameN-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]benzamide
SMILESO=C(Nc1cc(-c2ccc(Cl)cc2)[nH]n1)c1ccccc1
InChIInChI=1S/C16H12ClN3O/c17-13-8-6-11(7-9-13)14-10-15(20-19-14)18-16(21)12-4-2-1-3-5-12/h1-10H,(H2,18,19,20,21)
InChIKeyBHJKTBUGWNYLLO-UHFFFAOYSA-N
XLogP3.98
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.75
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-Cyclopropyl-1h-Pyrazol-3-Yl)Benzamide
CID 449088
N1-(3-phenyl-1H-pyrazol-5-yl)-4-chlorobenzamide
CID 339736
N-(1-methyl-3-phenylpyrazol-5-yl)benzamide
CID 2814962
4-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)benzamide
CID 5330974
N-(5-Cyclopropyl-1h-Pyrazol-3-Yl)benzene-1,4-Dicarboxamide
CID 5330977
3-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)benzamide
CID 5330979
2-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)benzamide
CID 5330983
3,4-dichloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)benzamide
CID 5330986
4-bromo-N-(5-cyclohexyl-1H-pyrazol-3-yl)benzamide
CID 5330989
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylacetamide
CID 5330998
4-{[(5-cyclopropyl-1H-pyrazol-3-yl)carbamoyl]methyl}benzamide
CID 5330999
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-phenylphenyl)acetamide
CID 5331003

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]benzamide?
The IUPAC name of N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]benzamide (CID 794166) is N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]benzamide.
What is the SMILES notation for N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]benzamide?
The canonical SMILES for N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]benzamide is O=C(Nc1cc(-c2ccc(Cl)cc2)[nH]n1)c1ccccc1.
What is the InChIKey of N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]benzamide?
The InChIKey is BHJKTBUGWNYLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O/c17-13-8-6-11(7-9-13)14-10-15(20-19-14)18-16(21)12-4-2-1-3-5-12/h1-10H,(H2,18,19,20,21).
What are the key properties of N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]benzamide?
N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]benzamide has a molecular weight of 297.75 g/mol, XLogP of 3.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]benzamide is sourced from PubChem (CID 794166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).