2-chloro-3-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide

C18H16ClN3O — CID 138993742

IUPAC2-chloro-3-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
SMILESCc1cc(NC(=O)c2cccc(C)c2Cl)n(-c2ccccc2)n1
InChIInChI=1S/C18H16ClN3O/c1-12-7-6-10-15(17(12)19)18(23)20-16-11-13(2)21-22(16)14-8-4-3-5-9-14/h3-11H,1-2H3,(H,20,23)
InChIKeyJABZUTIFLFKYMR-UHFFFAOYSA-N
MW325.80 g/mol
LogP4.39
Rot. Bonds3

About 2-chloro-3-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide

2-chloro-3-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide (PubChem CID 138993742) has the molecular formula C18H16ClN3O and a molecular weight of 325.80 g/mol. Its IUPAC name is 2-chloro-3-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name2-chloro-3-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
PubChem CID138993742
Molecular FormulaC18H16ClN3O
Molecular Weight325.80 g/mol
Exact Mass325.10
IUPAC Name2-chloro-3-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
SMILESCc1cc(NC(=O)c2cccc(C)c2Cl)n(-c2ccccc2)n1
InChIInChI=1S/C18H16ClN3O/c1-12-7-6-10-15(17(12)19)18(23)20-16-11-13(2)21-22(16)14-8-4-3-5-9-14/h3-11H,1-2H3,(H,20,23)
InChIKeyJABZUTIFLFKYMR-UHFFFAOYSA-N
XLogP4.39
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 54.39
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
2-chloro-4,5-dimethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 138993021
N-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]-2,3-dichlorobenzamide
CID 55643391
2-methoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 12735786
3,4-dichloro-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 11791835
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(trifluoromethyl)benzamide
CID 55378047
5-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-fluorobenzamide
CID 55481154
N-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]-2-methylsulfanylbenzamide
CID 112810243
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2,3-dichlorobenzamide
CID 46088066
2-chloro-N-(5-methyl-2-phenylpyrazol-3-yl)-5-(2-methylpropanoylamino)benzamide
CID 139003737
5-[(2-chlorobenzoyl)amino]-1-phenylpyrazole-3-carboxylic acid
CID 23630922
2-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4,5-difluorobenzamide
CID 55377836

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide?
The IUPAC name of 2-chloro-3-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide (CID 138993742) is 2-chloro-3-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide.
What is the SMILES notation for 2-chloro-3-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide?
The canonical SMILES for 2-chloro-3-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide is Cc1cc(NC(=O)c2cccc(C)c2Cl)n(-c2ccccc2)n1.
What is the InChIKey of 2-chloro-3-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide?
The InChIKey is JABZUTIFLFKYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O/c1-12-7-6-10-15(17(12)19)18(23)20-16-11-13(2)21-22(16)14-8-4-3-5-9-14/h3-11H,1-2H3,(H,20,23).
What are the key properties of 2-chloro-3-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide?
2-chloro-3-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide has a molecular weight of 325.80 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide is sourced from PubChem (CID 138993742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).