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

C17H13Cl2N3O — CID 2352147

IUPAC4-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]benzamide
SMILESCc1cc(NC(=O)c2ccc(Cl)cc2)n(-c2cccc(Cl)c2)n1
InChIInChI=1S/C17H13Cl2N3O/c1-11-9-16(20-17(23)12-5-7-13(18)8-6-12)22(21-11)15-4-2-3-14(19)10-15/h2-10H,1H3,(H,20,23)
InChIKeyIUMCVBAOSACKCT-UHFFFAOYSA-N
MW346.22 g/mol
LogP4.74
Rot. Bonds3

About 4-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]benzamide

4-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]benzamide (PubChem CID 2352147) has the molecular formula C17H13Cl2N3O and a molecular weight of 346.22 g/mol. Its IUPAC name is 4-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]benzamide
PubChem CID2352147
Molecular FormulaC17H13Cl2N3O
Molecular Weight346.22 g/mol
Exact Mass345.04
IUPAC Name4-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]benzamide
SMILESCc1cc(NC(=O)c2ccc(Cl)cc2)n(-c2cccc(Cl)c2)n1
InChIInChI=1S/C17H13Cl2N3O/c1-11-9-16(20-17(23)12-5-7-13(18)8-6-12)22(21-11)15-4-2-3-14(19)10-15/h2-10H,1H3,(H,20,23)
InChIKeyIUMCVBAOSACKCT-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

N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-(methylsulfanylmethyl)benzamide
CID 55480086
5-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-fluorobenzamide
CID 55481154
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 55378083
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-(2-oxopiperidin-1-yl)benzamide
CID 55480744
2-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4,5-difluorobenzamide
CID 55377836
4-(butan-2-ylsulfamoyl)-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]benzamide
CID 55493759
4-chloro-N-[2-[1-(3-chlorophenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]benzamide
CID 136604008
3,4-dichloro-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 11791835
2-amino-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]acetamide
CID 110459429
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(trifluoromethyl)benzamide
CID 55378047
4-bromo-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2,5-dimethylfuran-3-carboxamide
CID 55607773
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-(cyclopropylsulfamoyl)benzamide
CID 55480738

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]benzamide?
The IUPAC name of 4-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]benzamide (CID 2352147) is 4-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]benzamide?
The canonical SMILES for 4-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]benzamide is Cc1cc(NC(=O)c2ccc(Cl)cc2)n(-c2cccc(Cl)c2)n1.
What is the InChIKey of 4-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]benzamide?
The InChIKey is IUMCVBAOSACKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N3O/c1-11-9-16(20-17(23)12-5-7-13(18)8-6-12)22(21-11)15-4-2-3-14(19)10-15/h2-10H,1H3,(H,20,23).
What are the key properties of 4-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]benzamide?
4-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-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 4-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]benzamide is sourced from PubChem (CID 2352147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).