4-chloro-N-(4-chloro-1,3-dimethylpyrazol-5-yl)benzamide

C12H11Cl2N3O — CID 2818783

IUPAC4-chloro-N-(4-chloro-1,3-dimethylpyrazol-5-yl)benzamide
SMILESCc1nn(C)c(NC(=O)c2ccc(Cl)cc2)c1Cl
InChIInChI=1S/C12H11Cl2N3O/c1-7-10(14)11(17(2)16-7)15-12(18)8-3-5-9(13)6-4-8/h3-6H,1-2H3,(H,15,18)
InChIKeyZZLJNUATUCUEPI-UHFFFAOYSA-N
MW284.15 g/mol
LogP3.29
Rot. Bonds2

About 4-chloro-N-(4-chloro-1,3-dimethylpyrazol-5-yl)benzamide

4-chloro-N-(4-chloro-1,3-dimethylpyrazol-5-yl)benzamide (PubChem CID 2818783) has the molecular formula C12H11Cl2N3O and a molecular weight of 284.15 g/mol. Its IUPAC name is 4-chloro-N-(4-chloro-1,3-dimethylpyrazol-5-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(4-chloro-1,3-dimethylpyrazol-5-yl)benzamide
PubChem CID2818783
Molecular FormulaC12H11Cl2N3O
Molecular Weight284.15 g/mol
Exact Mass283.03
IUPAC Name4-chloro-N-(4-chloro-1,3-dimethylpyrazol-5-yl)benzamide
SMILESCc1nn(C)c(NC(=O)c2ccc(Cl)cc2)c1Cl
InChIInChI=1S/C12H11Cl2N3O/c1-7-10(14)11(17(2)16-7)15-12(18)8-3-5-9(13)6-4-8/h3-6H,1-2H3,(H,15,18)
InChIKeyZZLJNUATUCUEPI-UHFFFAOYSA-N
XLogP3.29
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.15
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-chloro-N-(4-chloro-1,3-dimethylpyrazol-5-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

N1-(3-phenyl-1H-pyrazol-5-yl)-4-chlorobenzamide
CID 339736
N-(1-methyl-3-phenylpyrazol-5-yl)benzamide
CID 2814962
4-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)benzamide
CID 5330974
4-chloro-1-((4-chlorophenyl)carbonyl)-3,5-dimethyl-1H-pyrazole
CID 685663
2-(3-chloro-4-fluorophenyl)-N-(1-cyclohexyl-3-methyl-1H-pyrazol-5-yl)acetamide
CID 146014436
3-fluoro-N-[1-(4-fluorobenzyl)-3-methyl-1H-pyrazol-5-yl]benzamide
CID 1510447
N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-4-methylbenzamide
CID 2320453
4-chloro-N-[4-(dimethylamino)-1-methyl-1H-indazol-3-yl]benzamide
CID 2813216
N1-[1-(tert-butyl)-3-methyl-1H-pyrazol-5-yl]-2-fluorobenzamide
CID 2818808
4-chloro-N-(1-methyl-1H-pyrazol-3-yl)benzamide
CID 16619202
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-(4-chlorophenyl)acetamide
CID 11046825
3-chloro-N-[1-(4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl]benzamide
CID 135753078

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-chloro-1,3-dimethylpyrazol-5-yl)benzamide?
The IUPAC name of 4-chloro-N-(4-chloro-1,3-dimethylpyrazol-5-yl)benzamide (CID 2818783) is 4-chloro-N-(4-chloro-1,3-dimethylpyrazol-5-yl)benzamide.
What is the SMILES notation for 4-chloro-N-(4-chloro-1,3-dimethylpyrazol-5-yl)benzamide?
The canonical SMILES for 4-chloro-N-(4-chloro-1,3-dimethylpyrazol-5-yl)benzamide is Cc1nn(C)c(NC(=O)c2ccc(Cl)cc2)c1Cl.
What is the InChIKey of 4-chloro-N-(4-chloro-1,3-dimethylpyrazol-5-yl)benzamide?
The InChIKey is ZZLJNUATUCUEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3O/c1-7-10(14)11(17(2)16-7)15-12(18)8-3-5-9(13)6-4-8/h3-6H,1-2H3,(H,15,18).
What are the key properties of 4-chloro-N-(4-chloro-1,3-dimethylpyrazol-5-yl)benzamide?
4-chloro-N-(4-chloro-1,3-dimethylpyrazol-5-yl)benzamide has a molecular weight of 284.15 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-chloro-1,3-dimethylpyrazol-5-yl)benzamide is sourced from PubChem (CID 2818783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).