5-(4-chlorophenyl)-1-(2,5-dichlorophenyl)-N-methylpyrazole-3-carboxamide

C17H12Cl3N3O — CID 1477268

IUPAC5-(4-chlorophenyl)-1-(2,5-dichlorophenyl)-N-methylpyrazole-3-carboxamide
SMILESCNC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C17H12Cl3N3O/c1-21-17(24)14-9-15(10-2-4-11(18)5-3-10)23(22-14)16-8-12(19)6-7-13(16)20/h2-9H,1H3,(H,21,24)
InChIKeyINLBCHFPKWEPII-UHFFFAOYSA-N
MW380.66 g/mol
LogP4.86
Rot. Bonds3

About 5-(4-chlorophenyl)-1-(2,5-dichlorophenyl)-N-methylpyrazole-3-carboxamide

5-(4-chlorophenyl)-1-(2,5-dichlorophenyl)-N-methylpyrazole-3-carboxamide (PubChem CID 1477268) has the molecular formula C17H12Cl3N3O and a molecular weight of 380.66 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-1-(2,5-dichlorophenyl)-N-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-1-(2,5-dichlorophenyl)-N-methylpyrazole-3-carboxamide
PubChem CID1477268
Molecular FormulaC17H12Cl3N3O
Molecular Weight380.66 g/mol
Exact Mass379.00
IUPAC Name5-(4-chlorophenyl)-1-(2,5-dichlorophenyl)-N-methylpyrazole-3-carboxamide
SMILESCNC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C17H12Cl3N3O/c1-21-17(24)14-9-15(10-2-4-11(18)5-3-10)23(22-14)16-8-12(19)6-7-13(16)20/h2-9H,1H3,(H,21,24)
InChIKeyINLBCHFPKWEPII-UHFFFAOYSA-N
XLogP4.86
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.66
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-1-(2,5-dichlorophenyl)-N-methylpyrazole-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-1-(2,5-dichlorophenyl)-N-methylpyrazole-3-carboxamide (CID 1477268) is 5-(4-chlorophenyl)-1-(2,5-dichlorophenyl)-N-methylpyrazole-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-1-(2,5-dichlorophenyl)-N-methylpyrazole-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-1-(2,5-dichlorophenyl)-N-methylpyrazole-3-carboxamide is CNC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2cc(Cl)ccc2Cl)n1.
What is the InChIKey of 5-(4-chlorophenyl)-1-(2,5-dichlorophenyl)-N-methylpyrazole-3-carboxamide?
The InChIKey is INLBCHFPKWEPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl3N3O/c1-21-17(24)14-9-15(10-2-4-11(18)5-3-10)23(22-14)16-8-12(19)6-7-13(16)20/h2-9H,1H3,(H,21,24).
What are the key properties of 5-(4-chlorophenyl)-1-(2,5-dichlorophenyl)-N-methylpyrazole-3-carboxamide?
5-(4-chlorophenyl)-1-(2,5-dichlorophenyl)-N-methylpyrazole-3-carboxamide has a molecular weight of 380.66 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-1-(2,5-dichlorophenyl)-N-methylpyrazole-3-carboxamide is sourced from PubChem (CID 1477268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).