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

C18H16ClN3O — CID 139009806

IUPAC2-chloro-4-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
SMILESCc1ccc(C(=O)Nc2cc(C)nn2-c2ccccc2)c(Cl)c1
InChIInChI=1S/C18H16ClN3O/c1-12-8-9-15(16(19)10-12)18(23)20-17-11-13(2)21-22(17)14-6-4-3-5-7-14/h3-11H,1-2H3,(H,20,23)
InChIKeyOBRHQGUKHRXXQD-UHFFFAOYSA-N
MW325.80 g/mol
LogP4.39
Rot. Bonds3

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

2-chloro-4-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide (PubChem CID 139009806) has the molecular formula C18H16ClN3O and a molecular weight of 325.80 g/mol. Its IUPAC name is 2-chloro-4-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name2-chloro-4-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
PubChem CID139009806
Molecular FormulaC18H16ClN3O
Molecular Weight325.80 g/mol
Exact Mass325.10
IUPAC Name2-chloro-4-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
SMILESCc1ccc(C(=O)Nc2cc(C)nn2-c2ccccc2)c(Cl)c1
InChIInChI=1S/C18H16ClN3O/c1-12-8-9-15(16(19)10-12)18(23)20-17-11-13(2)21-22(17)14-6-4-3-5-7-14/h3-11H,1-2H3,(H,20,23)
InChIKeyOBRHQGUKHRXXQD-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-4,5-dimethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 138993021
2-chloro-3-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 138993742
3,4-dichloro-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 11791835
5-bromo-2-chloro-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]benzamide
CID 43018546
2-methoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 12735786
2-chloro-4-fluoro-N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]benzamide
CID 46088054
2-chloro-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-4-fluorobenzamide
CID 55377398
2-chloro-N-(5-methyl-2-phenylpyrazol-3-yl)-5-(2-methylpropanoylamino)benzamide
CID 139003737
2-(4-methylphenyl)-N-(5-methyl-2-phenylpyrazol-3-yl)quinoline-4-carboxamide
CID 2372877
2-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4,5-difluorobenzamide
CID 55377836
5-[(2-chlorobenzoyl)amino]-1-phenylpyrazole-3-carboxylic acid
CID 23630922
N-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]-2,3-dichlorobenzamide
CID 55643391

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide?
The IUPAC name of 2-chloro-4-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide (CID 139009806) is 2-chloro-4-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide.
What is the SMILES notation for 2-chloro-4-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide?
The canonical SMILES for 2-chloro-4-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide is Cc1ccc(C(=O)Nc2cc(C)nn2-c2ccccc2)c(Cl)c1.
What is the InChIKey of 2-chloro-4-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide?
The InChIKey is OBRHQGUKHRXXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O/c1-12-8-9-15(16(19)10-12)18(23)20-17-11-13(2)21-22(17)14-6-4-3-5-7-14/h3-11H,1-2H3,(H,20,23).
What are the key properties of 2-chloro-4-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide?
2-chloro-4-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-4-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide is sourced from PubChem (CID 139009806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).