5-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-fluorobenzamide

C17H12Cl2FN3O — CID 55481154

IUPAC5-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-fluorobenzamide
SMILESCc1cc(NC(=O)c2cc(Cl)ccc2F)n(-c2cccc(Cl)c2)n1
InChIInChI=1S/C17H12Cl2FN3O/c1-10-7-16(23(22-10)13-4-2-3-11(18)8-13)21-17(24)14-9-12(19)5-6-15(14)20/h2-9H,1H3,(H,21,24)
InChIKeyZTRICUXMIKMQKO-UHFFFAOYSA-N
MW364.21 g/mol
LogP4.88
Rot. Bonds3

About 5-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-fluorobenzamide

5-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-fluorobenzamide (PubChem CID 55481154) has the molecular formula C17H12Cl2FN3O and a molecular weight of 364.21 g/mol. Its IUPAC name is 5-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-fluorobenzamide.

Molecular Properties

Compound Name5-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-fluorobenzamide
PubChem CID55481154
Molecular FormulaC17H12Cl2FN3O
Molecular Weight364.21 g/mol
Exact Mass363.03
IUPAC Name5-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-fluorobenzamide
SMILESCc1cc(NC(=O)c2cc(Cl)ccc2F)n(-c2cccc(Cl)c2)n1
InChIInChI=1S/C17H12Cl2FN3O/c1-10-7-16(23(22-10)13-4-2-3-11(18)8-13)21-17(24)14-9-12(19)5-6-15(14)20/h2-9H,1H3,(H,21,24)
InChIKeyZTRICUXMIKMQKO-UHFFFAOYSA-N
XLogP4.88
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.21
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4,5-difluorobenzamide
CID 55377836
4-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]benzamide
CID 2352147
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(trifluoromethyl)benzamide
CID 55378047
5-chloro-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-iodobenzamide
CID 112823648
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-methyl-3-nitrobenzamide
CID 55377865
2-amino-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]acetamide
CID 110459429
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-(2-fluorophenyl)propanamide
CID 55480987
N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-2-fluorobenzamide
CID 60591904
4-bromo-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2,5-dimethylfuran-3-carboxamide
CID 55607773
2-chloro-3-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 138993742
1-(3-chlorophenyl)-N-(2,5-dimethylpyrazol-3-yl)-5-methylpyrazole-4-carboxamide
CID 46412300
N-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]-2-methylsulfanylbenzamide
CID 112810243

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-fluorobenzamide?
The IUPAC name of 5-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-fluorobenzamide (CID 55481154) is 5-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-fluorobenzamide.
What is the SMILES notation for 5-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-fluorobenzamide?
The canonical SMILES for 5-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-fluorobenzamide is Cc1cc(NC(=O)c2cc(Cl)ccc2F)n(-c2cccc(Cl)c2)n1.
What is the InChIKey of 5-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-fluorobenzamide?
The InChIKey is ZTRICUXMIKMQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2FN3O/c1-10-7-16(23(22-10)13-4-2-3-11(18)8-13)21-17(24)14-9-12(19)5-6-15(14)20/h2-9H,1H3,(H,21,24).
What are the key properties of 5-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-fluorobenzamide?
5-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-fluorobenzamide has a molecular weight of 364.21 g/mol, XLogP of 4.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-fluorobenzamide is sourced from PubChem (CID 55481154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).