1-(3-chlorophenyl)-5-(4-chlorophenyl)-N-methylpyrazole-3-carboxamide

C17H13Cl2N3O — CID 3823256

IUPAC1-(3-chlorophenyl)-5-(4-chlorophenyl)-N-methylpyrazole-3-carboxamide
SMILESCNC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2cccc(Cl)c2)n1
InChIInChI=1S/C17H13Cl2N3O/c1-20-17(23)15-10-16(11-5-7-12(18)8-6-11)22(21-15)14-4-2-3-13(19)9-14/h2-10H,1H3,(H,20,23)
InChIKeyKPQKKMVTRAAYBE-UHFFFAOYSA-N
MW346.22 g/mol
LogP4.21
Rot. Bonds3

About 1-(3-chlorophenyl)-5-(4-chlorophenyl)-N-methylpyrazole-3-carboxamide

1-(3-chlorophenyl)-5-(4-chlorophenyl)-N-methylpyrazole-3-carboxamide (PubChem CID 3823256) has the molecular formula C17H13Cl2N3O and a molecular weight of 346.22 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-5-(4-chlorophenyl)-N-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-5-(4-chlorophenyl)-N-methylpyrazole-3-carboxamide
PubChem CID3823256
Molecular FormulaC17H13Cl2N3O
Molecular Weight346.22 g/mol
Exact Mass345.04
IUPAC Name1-(3-chlorophenyl)-5-(4-chlorophenyl)-N-methylpyrazole-3-carboxamide
SMILESCNC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2cccc(Cl)c2)n1
InChIInChI=1S/C17H13Cl2N3O/c1-20-17(23)15-10-16(11-5-7-12(18)8-6-11)22(21-15)14-4-2-3-13(19)9-14/h2-10H,1H3,(H,20,23)
InChIKeyKPQKKMVTRAAYBE-UHFFFAOYSA-N
XLogP4.21
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.22
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-5-(4-chlorophenyl)-N-methylpyrazole-3-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-5-(4-chlorophenyl)-N-methylpyrazole-3-carboxamide (CID 3823256) is 1-(3-chlorophenyl)-5-(4-chlorophenyl)-N-methylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-5-(4-chlorophenyl)-N-methylpyrazole-3-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-5-(4-chlorophenyl)-N-methylpyrazole-3-carboxamide is CNC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2cccc(Cl)c2)n1.
What is the InChIKey of 1-(3-chlorophenyl)-5-(4-chlorophenyl)-N-methylpyrazole-3-carboxamide?
The InChIKey is KPQKKMVTRAAYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N3O/c1-20-17(23)15-10-16(11-5-7-12(18)8-6-11)22(21-15)14-4-2-3-13(19)9-14/h2-10H,1H3,(H,20,23).
What are the key properties of 1-(3-chlorophenyl)-5-(4-chlorophenyl)-N-methylpyrazole-3-carboxamide?
1-(3-chlorophenyl)-5-(4-chlorophenyl)-N-methylpyrazole-3-carboxamide has a molecular weight of 346.22 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-5-(4-chlorophenyl)-N-methylpyrazole-3-carboxamide is sourced from PubChem (CID 3823256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).