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

C17H13Cl2N3O — CID 5121984

IUPAC2,4-dichloro-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
SMILESCc1cc(NC(=O)c2ccc(Cl)cc2Cl)n(-c2ccccc2)n1
InChIInChI=1S/C17H13Cl2N3O/c1-11-9-16(22(21-11)13-5-3-2-4-6-13)20-17(23)14-8-7-12(18)10-15(14)19/h2-10H,1H3,(H,20,23)
InChIKeyAJPLAFYBSJYISV-UHFFFAOYSA-N
MW346.22 g/mol
LogP4.74
Rot. Bonds3

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

2,4-dichloro-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide (PubChem CID 5121984) has the molecular formula C17H13Cl2N3O and a molecular weight of 346.22 g/mol. Its IUPAC name is 2,4-dichloro-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
PubChem CID5121984
Molecular FormulaC17H13Cl2N3O
Molecular Weight346.22 g/mol
Exact Mass345.04
IUPAC Name2,4-dichloro-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
SMILESCc1cc(NC(=O)c2ccc(Cl)cc2Cl)n(-c2ccccc2)n1
InChIInChI=1S/C17H13Cl2N3O/c1-11-9-16(22(21-11)13-5-3-2-4-6-13)20-17(23)14-8-7-12(18)10-15(14)19/h2-10H,1H3,(H,20,23)
InChIKeyAJPLAFYBSJYISV-UHFFFAOYSA-N
XLogP4.74
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 ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide?
The IUPAC name of 2,4-dichloro-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide (CID 5121984) is 2,4-dichloro-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide.
What is the SMILES notation for 2,4-dichloro-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide?
The canonical SMILES for 2,4-dichloro-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide is Cc1cc(NC(=O)c2ccc(Cl)cc2Cl)n(-c2ccccc2)n1.
What is the InChIKey of 2,4-dichloro-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide?
The InChIKey is AJPLAFYBSJYISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N3O/c1-11-9-16(22(21-11)13-5-3-2-4-6-13)20-17(23)14-8-7-12(18)10-15(14)19/h2-10H,1H3,(H,20,23).
What are the key properties of 2,4-dichloro-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide?
2,4-dichloro-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide has a molecular weight of 346.22 g/mol, XLogP of 4.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide is sourced from PubChem (CID 5121984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).