N-(2-chlorophenyl)-5-methyl-2-phenylpyrazole-3-carboxamide

C17H14ClN3O — CID 20861271

IUPACN-(2-chlorophenyl)-5-methyl-2-phenylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2Cl)n(-c2ccccc2)n1
InChIInChI=1S/C17H14ClN3O/c1-12-11-16(21(20-12)13-7-3-2-4-8-13)17(22)19-15-10-6-5-9-14(15)18/h2-11H,1H3,(H,19,22)
InChIKeyYPJHAWAZICJIKW-UHFFFAOYSA-N
MW311.77 g/mol
LogP4.09
Rot. Bonds3

About N-(2-chlorophenyl)-5-methyl-2-phenylpyrazole-3-carboxamide

N-(2-chlorophenyl)-5-methyl-2-phenylpyrazole-3-carboxamide (PubChem CID 20861271) has the molecular formula C17H14ClN3O and a molecular weight of 311.77 g/mol. Its IUPAC name is N-(2-chlorophenyl)-5-methyl-2-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-5-methyl-2-phenylpyrazole-3-carboxamide
PubChem CID20861271
Molecular FormulaC17H14ClN3O
Molecular Weight311.77 g/mol
Exact Mass311.08
IUPAC NameN-(2-chlorophenyl)-5-methyl-2-phenylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2Cl)n(-c2ccccc2)n1
InChIInChI=1S/C17H14ClN3O/c1-12-11-16(21(20-12)13-7-3-2-4-8-13)17(22)19-15-10-6-5-9-14(15)18/h2-11H,1H3,(H,19,22)
InChIKeyYPJHAWAZICJIKW-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 N-(2-chlorophenyl)-5-methyl-2-phenylpyrazole-3-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-5-methyl-2-phenylpyrazole-3-carboxamide (CID 20861271) is N-(2-chlorophenyl)-5-methyl-2-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-5-methyl-2-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-5-methyl-2-phenylpyrazole-3-carboxamide is Cc1cc(C(=O)Nc2ccccc2Cl)n(-c2ccccc2)n1.
What is the InChIKey of N-(2-chlorophenyl)-5-methyl-2-phenylpyrazole-3-carboxamide?
The InChIKey is YPJHAWAZICJIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O/c1-12-11-16(21(20-12)13-7-3-2-4-8-13)17(22)19-15-10-6-5-9-14(15)18/h2-11H,1H3,(H,19,22).
What are the key properties of N-(2-chlorophenyl)-5-methyl-2-phenylpyrazole-3-carboxamide?
N-(2-chlorophenyl)-5-methyl-2-phenylpyrazole-3-carboxamide 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 N-(2-chlorophenyl)-5-methyl-2-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 20861271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).