N-[3-(2-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-2,4-difluorobenzamide

C17H12ClF2N3O — CID 42687165

IUPACN-[3-(2-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-2,4-difluorobenzamide
SMILESCc1[nH]nc(-c2ccccc2Cl)c1NC(=O)c1ccc(F)cc1F
InChIInChI=1S/C17H12ClF2N3O/c1-9-15(16(23-22-9)11-4-2-3-5-13(11)18)21-17(24)12-7-6-10(19)8-14(12)20/h2-8H,1H3,(H,21,24)(H,22,23)
InChIKeyTZHRVPABHBDJDN-UHFFFAOYSA-N
MW347.75 g/mol
LogP4.57
Rot. Bonds3

About N-[3-(2-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-2,4-difluorobenzamide

N-[3-(2-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-2,4-difluorobenzamide (PubChem CID 42687165) has the molecular formula C17H12ClF2N3O and a molecular weight of 347.75 g/mol. Its IUPAC name is N-[3-(2-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-[3-(2-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-2,4-difluorobenzamide
PubChem CID42687165
Molecular FormulaC17H12ClF2N3O
Molecular Weight347.75 g/mol
Exact Mass347.06
IUPAC NameN-[3-(2-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-2,4-difluorobenzamide
SMILESCc1[nH]nc(-c2ccccc2Cl)c1NC(=O)c1ccc(F)cc1F
InChIInChI=1S/C17H12ClF2N3O/c1-9-15(16(23-22-9)11-4-2-3-5-13(11)18)21-17(24)12-7-6-10(19)8-14(12)20/h2-8H,1H3,(H,21,24)(H,22,23)
InChIKeyTZHRVPABHBDJDN-UHFFFAOYSA-N
XLogP4.57
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.75
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[3-(2-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-2,4-difluorobenzamide 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-[3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]-2-fluorobenzamide
CID 42686121
N-[3-(2-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-2-cyclopentylacetamide
CID 42687166
N-[3-(3-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]-2,4-difluorobenzamide
CID 42686101
N-[3-(3-chlorophenyl)-5-cyclopropyl-1H-pyrazol-4-yl]-2,4-difluorobenzamide
CID 42685595
N-(2-chloro-6-methylphenyl)-4-fluoro-2-methylbenzamide
CID 113219145
N-(2-chloro-5-fluorophenyl)-2-fluoro-4-methylbenzamide
CID 103733508
2-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-5-fluorobenzamide
CID 43547708
3,5-difluoro-N-[3-(3-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]benzamide
CID 42687572
2,4-difluoro-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 90626068
N-(2,6-diethylphenyl)-2,4-difluorobenzamide
CID 2495338
N-(2-chloro-4-hydroxyphenyl)-2,4-difluorobenzamide
CID 64786772
N-(2-chloro-6-methylphenyl)-4-fluoro-2-hydroxybenzamide
CID 103889268

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-2,4-difluorobenzamide?
The IUPAC name of N-[3-(2-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-2,4-difluorobenzamide (CID 42687165) is N-[3-(2-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-2,4-difluorobenzamide.
What is the SMILES notation for N-[3-(2-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-2,4-difluorobenzamide?
The canonical SMILES for N-[3-(2-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-2,4-difluorobenzamide is Cc1[nH]nc(-c2ccccc2Cl)c1NC(=O)c1ccc(F)cc1F.
What is the InChIKey of N-[3-(2-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-2,4-difluorobenzamide?
The InChIKey is TZHRVPABHBDJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClF2N3O/c1-9-15(16(23-22-9)11-4-2-3-5-13(11)18)21-17(24)12-7-6-10(19)8-14(12)20/h2-8H,1H3,(H,21,24)(H,22,23).
What are the key properties of N-[3-(2-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-2,4-difluorobenzamide?
N-[3-(2-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-2,4-difluorobenzamide has a molecular weight of 347.75 g/mol, XLogP of 4.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-2,4-difluorobenzamide is sourced from PubChem (CID 42687165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).