4-chloro-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide

C17H14ClN3O — CID 735950

IUPAC4-chloro-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
SMILESCc1cc(NC(=O)c2ccc(Cl)cc2)n(-c2ccccc2)n1
InChIInChI=1S/C17H14ClN3O/c1-12-11-16(21(20-12)15-5-3-2-4-6-15)19-17(22)13-7-9-14(18)10-8-13/h2-11H,1H3,(H,19,22)
InChIKeyLRGPGWYXQMQPLR-UHFFFAOYSA-N
MW311.77 g/mol
LogP4.09
Rot. Bonds3

About 4-chloro-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide

4-chloro-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide (PubChem CID 735950) has the molecular formula C17H14ClN3O and a molecular weight of 311.77 g/mol. Its IUPAC name is 4-chloro-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
PubChem CID735950
Molecular FormulaC17H14ClN3O
Molecular Weight311.77 g/mol
Exact Mass311.08
IUPAC Name4-chloro-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
SMILESCc1cc(NC(=O)c2ccc(Cl)cc2)n(-c2ccccc2)n1
InChIInChI=1S/C17H14ClN3O/c1-12-11-16(21(20-12)15-5-3-2-4-6-15)19-17(22)13-7-9-14(18)10-8-13/h2-11H,1H3,(H,19,22)
InChIKeyLRGPGWYXQMQPLR-UHFFFAOYSA-N
XLogP4.09
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide?
The IUPAC name of 4-chloro-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide (CID 735950) is 4-chloro-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide.
What is the SMILES notation for 4-chloro-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide?
The canonical SMILES for 4-chloro-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide is Cc1cc(NC(=O)c2ccc(Cl)cc2)n(-c2ccccc2)n1.
What is the InChIKey of 4-chloro-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide?
The InChIKey is LRGPGWYXQMQPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O/c1-12-11-16(21(20-12)15-5-3-2-4-6-15)19-17(22)13-7-9-14(18)10-8-13/h2-11H,1H3,(H,19,22).
What are the key properties of 4-chloro-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide?
4-chloro-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide has a molecular weight of 311.77 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide is sourced from PubChem (CID 735950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).