4-chloro-N-(1-phenylpyrazol-3-yl)benzamide

C16H12ClN3O — CID 810450

IUPAC4-chloro-N-(1-phenylpyrazol-3-yl)benzamide
SMILESO=C(Nc1ccn(-c2ccccc2)n1)c1ccc(Cl)cc1
InChIInChI=1S/C16H12ClN3O/c17-13-8-6-12(7-9-13)16(21)18-15-10-11-20(19-15)14-4-2-1-3-5-14/h1-11H,(H,18,19,21)
InChIKeyQUOPRYYGGLFEQQ-UHFFFAOYSA-N
MW297.75 g/mol
LogP3.78
Rot. Bonds3

About 4-chloro-N-(1-phenylpyrazol-3-yl)benzamide

4-chloro-N-(1-phenylpyrazol-3-yl)benzamide (PubChem CID 810450) has the molecular formula C16H12ClN3O and a molecular weight of 297.75 g/mol. Its IUPAC name is 4-chloro-N-(1-phenylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(1-phenylpyrazol-3-yl)benzamide
PubChem CID810450
Molecular FormulaC16H12ClN3O
Molecular Weight297.75 g/mol
Exact Mass297.07
IUPAC Name4-chloro-N-(1-phenylpyrazol-3-yl)benzamide
SMILESO=C(Nc1ccn(-c2ccccc2)n1)c1ccc(Cl)cc1
InChIInChI=1S/C16H12ClN3O/c17-13-8-6-12(7-9-13)16(21)18-15-10-11-20(19-15)14-4-2-1-3-5-14/h1-11H,(H,18,19,21)
InChIKeyQUOPRYYGGLFEQQ-UHFFFAOYSA-N
XLogP3.78
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.75
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1-phenylpyrazol-3-yl)benzamide?
The IUPAC name of 4-chloro-N-(1-phenylpyrazol-3-yl)benzamide (CID 810450) is 4-chloro-N-(1-phenylpyrazol-3-yl)benzamide.
What is the SMILES notation for 4-chloro-N-(1-phenylpyrazol-3-yl)benzamide?
The canonical SMILES for 4-chloro-N-(1-phenylpyrazol-3-yl)benzamide is O=C(Nc1ccn(-c2ccccc2)n1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(1-phenylpyrazol-3-yl)benzamide?
The InChIKey is QUOPRYYGGLFEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O/c17-13-8-6-12(7-9-13)16(21)18-15-10-11-20(19-15)14-4-2-1-3-5-14/h1-11H,(H,18,19,21).
What are the key properties of 4-chloro-N-(1-phenylpyrazol-3-yl)benzamide?
4-chloro-N-(1-phenylpyrazol-3-yl)benzamide has a molecular weight of 297.75 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1-phenylpyrazol-3-yl)benzamide is sourced from PubChem (CID 810450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).