5-chloro-N-(4-chlorophenyl)-1-methyl-3-phenylpyrazole-4-carboxamide

C17H13Cl2N3O — CID 1476820

IUPAC5-chloro-N-(4-chlorophenyl)-1-methyl-3-phenylpyrazole-4-carboxamide
SMILESCn1nc(-c2ccccc2)c(C(=O)Nc2ccc(Cl)cc2)c1Cl
InChIInChI=1S/C17H13Cl2N3O/c1-22-16(19)14(15(21-22)11-5-3-2-4-6-11)17(23)20-13-9-7-12(18)8-10-13/h2-10H,1H3,(H,20,23)
InChIKeySIDDBZBJXDCUBA-UHFFFAOYSA-N
MW346.22 g/mol
LogP4.65
Rot. Bonds3

About 5-chloro-N-(4-chlorophenyl)-1-methyl-3-phenylpyrazole-4-carboxamide

5-chloro-N-(4-chlorophenyl)-1-methyl-3-phenylpyrazole-4-carboxamide (PubChem CID 1476820) has the molecular formula C17H13Cl2N3O and a molecular weight of 346.22 g/mol. Its IUPAC name is 5-chloro-N-(4-chlorophenyl)-1-methyl-3-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(4-chlorophenyl)-1-methyl-3-phenylpyrazole-4-carboxamide
PubChem CID1476820
Molecular FormulaC17H13Cl2N3O
Molecular Weight346.22 g/mol
Exact Mass345.04
IUPAC Name5-chloro-N-(4-chlorophenyl)-1-methyl-3-phenylpyrazole-4-carboxamide
SMILESCn1nc(-c2ccccc2)c(C(=O)Nc2ccc(Cl)cc2)c1Cl
InChIInChI=1S/C17H13Cl2N3O/c1-22-16(19)14(15(21-22)11-5-3-2-4-6-11)17(23)20-13-9-7-12(18)8-10-13/h2-10H,1H3,(H,20,23)
InChIKeySIDDBZBJXDCUBA-UHFFFAOYSA-N
XLogP4.65
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 ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-chlorophenyl)-1-methyl-3-phenylpyrazole-4-carboxamide?
The IUPAC name of 5-chloro-N-(4-chlorophenyl)-1-methyl-3-phenylpyrazole-4-carboxamide (CID 1476820) is 5-chloro-N-(4-chlorophenyl)-1-methyl-3-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-N-(4-chlorophenyl)-1-methyl-3-phenylpyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-N-(4-chlorophenyl)-1-methyl-3-phenylpyrazole-4-carboxamide is Cn1nc(-c2ccccc2)c(C(=O)Nc2ccc(Cl)cc2)c1Cl.
What is the InChIKey of 5-chloro-N-(4-chlorophenyl)-1-methyl-3-phenylpyrazole-4-carboxamide?
The InChIKey is SIDDBZBJXDCUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N3O/c1-22-16(19)14(15(21-22)11-5-3-2-4-6-11)17(23)20-13-9-7-12(18)8-10-13/h2-10H,1H3,(H,20,23).
What are the key properties of 5-chloro-N-(4-chlorophenyl)-1-methyl-3-phenylpyrazole-4-carboxamide?
5-chloro-N-(4-chlorophenyl)-1-methyl-3-phenylpyrazole-4-carboxamide has a molecular weight of 346.22 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-chlorophenyl)-1-methyl-3-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 1476820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).