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

C17H13Cl2N3O — CID 11791835

IUPAC3,4-dichloro-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
SMILESCc1cc(NC(=O)c2ccc(Cl)c(Cl)c2)n(-c2ccccc2)n1
InChIInChI=1S/C17H13Cl2N3O/c1-11-9-16(22(21-11)13-5-3-2-4-6-13)20-17(23)12-7-8-14(18)15(19)10-12/h2-10H,1H3,(H,20,23)
InChIKeyOKNPGALSHBGGPT-UHFFFAOYSA-N
MW346.22 g/mol
LogP4.74
Rot. Bonds3

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

3,4-dichloro-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide (PubChem CID 11791835) has the molecular formula C17H13Cl2N3O and a molecular weight of 346.22 g/mol. Its IUPAC name is 3,4-dichloro-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
PubChem CID11791835
Molecular FormulaC17H13Cl2N3O
Molecular Weight346.22 g/mol
Exact Mass345.04
IUPAC Name3,4-dichloro-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
SMILESCc1cc(NC(=O)c2ccc(Cl)c(Cl)c2)n(-c2ccccc2)n1
InChIInChI=1S/C17H13Cl2N3O/c1-11-9-16(22(21-11)13-5-3-2-4-6-13)20-17(23)12-7-8-14(18)15(19)10-12/h2-10H,1H3,(H,20,23)
InChIKeyOKNPGALSHBGGPT-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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Related Compounds

2-chloro-4-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 139009806
4-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]benzamide
CID 2352147
3,5-dimethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 2359886
2-chloro-3-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 138993742
2-chloro-4,5-dimethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 138993021
2-chloro-N-(5-methyl-2-phenylpyrazol-3-yl)-5-(2-methylpropanoylamino)benzamide
CID 139003737
N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-4-phenoxybenzamide
CID 3372740
3-chloro-6-ethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)pyridine-2-carboxamide
CID 167792754
7-chloro-N-(5-methyl-2-phenylpyrazol-3-yl)-1H-indole-2-carboxamide
CID 108804103
5-(4-chlorophenyl)-N-(5-methyl-2-phenylpyrazol-3-yl)-1,2-oxazole-3-carboxamide
CID 15988870
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 55378083
2-methoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 12735786

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide?
The IUPAC name of 3,4-dichloro-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide (CID 11791835) is 3,4-dichloro-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide.
What is the SMILES notation for 3,4-dichloro-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide?
The canonical SMILES for 3,4-dichloro-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide is Cc1cc(NC(=O)c2ccc(Cl)c(Cl)c2)n(-c2ccccc2)n1.
What is the InChIKey of 3,4-dichloro-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide?
The InChIKey is OKNPGALSHBGGPT-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)12-7-8-14(18)15(19)10-12/h2-10H,1H3,(H,20,23).
What are the key properties of 3,4-dichloro-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide?
3,4-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 3,4-dichloro-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide is sourced from PubChem (CID 11791835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).