N-(2,4-dichlorophenyl)-4-(3-methyl-5-phenylpyrazol-1-yl)benzamide

C23H17Cl2N3O — CID 4862246

IUPACN-(2,4-dichlorophenyl)-4-(3-methyl-5-phenylpyrazol-1-yl)benzamide
SMILESCc1cc(-c2ccccc2)n(-c2ccc(C(=O)Nc3ccc(Cl)cc3Cl)cc2)n1
InChIInChI=1S/C23H17Cl2N3O/c1-15-13-22(16-5-3-2-4-6-16)28(27-15)19-10-7-17(8-11-19)23(29)26-21-12-9-18(24)14-20(21)25/h2-14H,1H3,(H,26,29)
InChIKeyYIYMCKJPGRGKKP-UHFFFAOYSA-N
MW422.32 g/mol
LogP6.41
Rot. Bonds4

About N-(2,4-dichlorophenyl)-4-(3-methyl-5-phenylpyrazol-1-yl)benzamide

N-(2,4-dichlorophenyl)-4-(3-methyl-5-phenylpyrazol-1-yl)benzamide (PubChem CID 4862246) has the molecular formula C23H17Cl2N3O and a molecular weight of 422.32 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-4-(3-methyl-5-phenylpyrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-4-(3-methyl-5-phenylpyrazol-1-yl)benzamide
PubChem CID4862246
Molecular FormulaC23H17Cl2N3O
Molecular Weight422.32 g/mol
Exact Mass421.07
IUPAC NameN-(2,4-dichlorophenyl)-4-(3-methyl-5-phenylpyrazol-1-yl)benzamide
SMILESCc1cc(-c2ccccc2)n(-c2ccc(C(=O)Nc3ccc(Cl)cc3Cl)cc2)n1
InChIInChI=1S/C23H17Cl2N3O/c1-15-13-22(16-5-3-2-4-6-16)28(27-15)19-10-7-17(8-11-19)23(29)26-21-12-9-18(24)14-20(21)25/h2-14H,1H3,(H,26,29)
InChIKeyYIYMCKJPGRGKKP-UHFFFAOYSA-N
XLogP6.41
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.32
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2,4-dichlorophenyl)-4-(3-methyl-5-phenylpyrazol-1-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

1-(4-chlorophenyl)-3-methyl-5-phenylpyrazole
CID 4255927
4-(3-methyl-5-phenylpyrazol-1-yl)-N-(4-phenyldiazenylphenyl)benzamide
CID 4862205
4-(3-methyl-5-phenylpyrazol-1-yl)benzoate
CID 7140279
N-cyclohexyl-4-(3-methyl-5-phenylpyrazol-1-yl)benzamide
CID 4862165
N,N-diethyl-4-(3-methyl-5-phenylpyrazol-1-yl)benzamide
CID 4862170
N-(3-methoxypropyl)-4-(3-methyl-5-phenylpyrazol-1-yl)benzamide
CID 4862190
N-(4-chloro-2-methylphenyl)-4-phenylbenzamide
CID 19174130
(4-methoxycarbonylphenyl) 4-(3-methyl-5-phenylpyrazol-1-yl)benzoate
CID 4862192
1-(4-chlorophenyl)-N-methyl-5-phenylpyrazole-3-carboxamide
CID 164610011
4-chloro-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]benzamide
CID 34846987
4-(3,5-dimethylpyrazol-1-yl)-N-(2-methylphenyl)benzamide
CID 2354201
5-(2,4-dichlorophenyl)-3-methyl-1-phenylpyrazole
CID 139225206

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-4-(3-methyl-5-phenylpyrazol-1-yl)benzamide?
The IUPAC name of N-(2,4-dichlorophenyl)-4-(3-methyl-5-phenylpyrazol-1-yl)benzamide (CID 4862246) is N-(2,4-dichlorophenyl)-4-(3-methyl-5-phenylpyrazol-1-yl)benzamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-4-(3-methyl-5-phenylpyrazol-1-yl)benzamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-4-(3-methyl-5-phenylpyrazol-1-yl)benzamide is Cc1cc(-c2ccccc2)n(-c2ccc(C(=O)Nc3ccc(Cl)cc3Cl)cc2)n1.
What is the InChIKey of N-(2,4-dichlorophenyl)-4-(3-methyl-5-phenylpyrazol-1-yl)benzamide?
The InChIKey is YIYMCKJPGRGKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Cl2N3O/c1-15-13-22(16-5-3-2-4-6-16)28(27-15)19-10-7-17(8-11-19)23(29)26-21-12-9-18(24)14-20(21)25/h2-14H,1H3,(H,26,29).
What are the key properties of N-(2,4-dichlorophenyl)-4-(3-methyl-5-phenylpyrazol-1-yl)benzamide?
N-(2,4-dichlorophenyl)-4-(3-methyl-5-phenylpyrazol-1-yl)benzamide has a molecular weight of 422.32 g/mol, XLogP of 6.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-4-(3-methyl-5-phenylpyrazol-1-yl)benzamide is sourced from PubChem (CID 4862246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).