4-[4-(4-chlorophenyl)pyrazol-1-yl]benzamide

C16H12ClN3O — CID 127027294

IUPAC4-[4-(4-chlorophenyl)pyrazol-1-yl]benzamide
SMILESNC(=O)c1ccc(-n2cc(-c3ccc(Cl)cc3)cn2)cc1
InChIInChI=1S/C16H12ClN3O/c17-14-5-1-11(2-6-14)13-9-19-20(10-13)15-7-3-12(4-8-15)16(18)21/h1-10H,(H2,18,21)
InChIKeyISMPQCOHFGGZLG-UHFFFAOYSA-N
MW297.75 g/mol
LogP3.29
Rot. Bonds3

About 4-[4-(4-chlorophenyl)pyrazol-1-yl]benzamide

4-[4-(4-chlorophenyl)pyrazol-1-yl]benzamide (PubChem CID 127027294) has the molecular formula C16H12ClN3O and a molecular weight of 297.75 g/mol. Its IUPAC name is 4-[4-(4-chlorophenyl)pyrazol-1-yl]benzamide.

Molecular Properties

Compound Name4-[4-(4-chlorophenyl)pyrazol-1-yl]benzamide
PubChem CID127027294
Molecular FormulaC16H12ClN3O
Molecular Weight297.75 g/mol
Exact Mass297.07
IUPAC Name4-[4-(4-chlorophenyl)pyrazol-1-yl]benzamide
SMILESNC(=O)c1ccc(-n2cc(-c3ccc(Cl)cc3)cn2)cc1
InChIInChI=1S/C16H12ClN3O/c17-14-5-1-11(2-6-14)13-9-19-20(10-13)15-7-3-12(4-8-15)16(18)21/h1-10H,(H2,18,21)
InChIKeyISMPQCOHFGGZLG-UHFFFAOYSA-N
XLogP3.29
TPSA60.91 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 ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-chlorophenyl)pyrazol-1-yl]benzamide?
The IUPAC name of 4-[4-(4-chlorophenyl)pyrazol-1-yl]benzamide (CID 127027294) is 4-[4-(4-chlorophenyl)pyrazol-1-yl]benzamide.
What is the SMILES notation for 4-[4-(4-chlorophenyl)pyrazol-1-yl]benzamide?
The canonical SMILES for 4-[4-(4-chlorophenyl)pyrazol-1-yl]benzamide is NC(=O)c1ccc(-n2cc(-c3ccc(Cl)cc3)cn2)cc1.
What is the InChIKey of 4-[4-(4-chlorophenyl)pyrazol-1-yl]benzamide?
The InChIKey is ISMPQCOHFGGZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O/c17-14-5-1-11(2-6-14)13-9-19-20(10-13)15-7-3-12(4-8-15)16(18)21/h1-10H,(H2,18,21).
What are the key properties of 4-[4-(4-chlorophenyl)pyrazol-1-yl]benzamide?
4-[4-(4-chlorophenyl)pyrazol-1-yl]benzamide has a molecular weight of 297.75 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chlorophenyl)pyrazol-1-yl]benzamide is sourced from PubChem (CID 127027294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).