2,4-dichloro-N-(1-methyl-3-phenylpyrazol-4-yl)benzamide

C17H13Cl2N3O — CID 138998439

IUPAC2,4-dichloro-N-(1-methyl-3-phenylpyrazol-4-yl)benzamide
SMILESCn1cc(NC(=O)c2ccc(Cl)cc2Cl)c(-c2ccccc2)n1
InChIInChI=1S/C17H13Cl2N3O/c1-22-10-15(16(21-22)11-5-3-2-4-6-11)20-17(23)13-8-7-12(18)9-14(13)19/h2-10H,1H3,(H,20,23)
InChIKeyOZBKPKKZRGGAQU-UHFFFAOYSA-N
MW346.22 g/mol
LogP4.65
Rot. Bonds3

About 2,4-dichloro-N-(1-methyl-3-phenylpyrazol-4-yl)benzamide

2,4-dichloro-N-(1-methyl-3-phenylpyrazol-4-yl)benzamide (PubChem CID 138998439) has the molecular formula C17H13Cl2N3O and a molecular weight of 346.22 g/mol. Its IUPAC name is 2,4-dichloro-N-(1-methyl-3-phenylpyrazol-4-yl)benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-(1-methyl-3-phenylpyrazol-4-yl)benzamide
PubChem CID138998439
Molecular FormulaC17H13Cl2N3O
Molecular Weight346.22 g/mol
Exact Mass345.04
IUPAC Name2,4-dichloro-N-(1-methyl-3-phenylpyrazol-4-yl)benzamide
SMILESCn1cc(NC(=O)c2ccc(Cl)cc2Cl)c(-c2ccccc2)n1
InChIInChI=1S/C17H13Cl2N3O/c1-22-10-15(16(21-22)11-5-3-2-4-6-11)20-17(23)13-8-7-12(18)9-14(13)19/h2-10H,1H3,(H,20,23)
InChIKeyOZBKPKKZRGGAQU-UHFFFAOYSA-N
XLogP4.65
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 ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,4-dichloro-N-(1-methyl-3-phenylpyrazol-4-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,4-dichlorophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 45285316
N'-[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]-N-(1-methyl-3-phenylpyrazol-4-yl)oxamide
CID 166332599
N-(1-methyl-3-phenylpyrazol-4-yl)-1-benzofuran-2-carboxamide
CID 166197616
4-[(2,4-dichlorobenzoyl)amino]-1-ethyl-N-phenylpyrazole-3-carboxamide
CID 17022084
2-[(2,4-dichlorobenzoyl)amino]-5-(3-phenylphenyl)benzoic acid
CID 10183146
2-[(2,4-dichlorobenzoyl)amino]-5-phenylbenzoate
CID 59060344
2,4-dichloro-N-(2-chloro-3-pyridinyl)benzamide
CID 3454315
2,4-dichloro-N-(2-methylquinolin-5-yl)benzamide
CID 6462273
2,4-dichloro-N-[2-(methanesulfonamido)phenyl]benzamide
CID 35368130
2,4-dichloro-N-[2-(1-hydroxyethyl)phenyl]benzamide
CID 43508509
N-(2-benzoyl-4-chlorophenyl)-4-iodo-1-methylpyrazole-3-carboxamide
CID 19261901
2,4-dichloro-N-[4-chloro-2-(2-chlorobenzoyl)phenyl]benzamide
CID 4029873

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(1-methyl-3-phenylpyrazol-4-yl)benzamide?
The IUPAC name of 2,4-dichloro-N-(1-methyl-3-phenylpyrazol-4-yl)benzamide (CID 138998439) is 2,4-dichloro-N-(1-methyl-3-phenylpyrazol-4-yl)benzamide.
What is the SMILES notation for 2,4-dichloro-N-(1-methyl-3-phenylpyrazol-4-yl)benzamide?
The canonical SMILES for 2,4-dichloro-N-(1-methyl-3-phenylpyrazol-4-yl)benzamide is Cn1cc(NC(=O)c2ccc(Cl)cc2Cl)c(-c2ccccc2)n1.
What is the InChIKey of 2,4-dichloro-N-(1-methyl-3-phenylpyrazol-4-yl)benzamide?
The InChIKey is OZBKPKKZRGGAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N3O/c1-22-10-15(16(21-22)11-5-3-2-4-6-11)20-17(23)13-8-7-12(18)9-14(13)19/h2-10H,1H3,(H,20,23).
What are the key properties of 2,4-dichloro-N-(1-methyl-3-phenylpyrazol-4-yl)benzamide?
2,4-dichloro-N-(1-methyl-3-phenylpyrazol-4-yl)benzamide has a molecular weight of 346.22 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(1-methyl-3-phenylpyrazol-4-yl)benzamide is sourced from PubChem (CID 138998439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).