N-(4-bromo-3-chlorophenyl)-1-methylpyrazole-4-carboxamide

C11H9BrClN3O — CID 103824882

IUPACN-(4-bromo-3-chlorophenyl)-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2ccc(Br)c(Cl)c2)cn1
InChIInChI=1S/C11H9BrClN3O/c1-16-6-7(5-14-16)11(17)15-8-2-3-9(12)10(13)4-8/h2-6H,1H3,(H,15,17)
InChIKeyLNCOZOCLFKNZBB-UHFFFAOYSA-N
MW314.57 g/mol
LogP3.09
Rot. Bonds2

About N-(4-bromo-3-chlorophenyl)-1-methylpyrazole-4-carboxamide

N-(4-bromo-3-chlorophenyl)-1-methylpyrazole-4-carboxamide (PubChem CID 103824882) has the molecular formula C11H9BrClN3O and a molecular weight of 314.57 g/mol. Its IUPAC name is N-(4-bromo-3-chlorophenyl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-chlorophenyl)-1-methylpyrazole-4-carboxamide
PubChem CID103824882
Molecular FormulaC11H9BrClN3O
Molecular Weight314.57 g/mol
Exact Mass312.96
IUPAC NameN-(4-bromo-3-chlorophenyl)-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2ccc(Br)c(Cl)c2)cn1
InChIInChI=1S/C11H9BrClN3O/c1-16-6-7(5-14-16)11(17)15-8-2-3-9(12)10(13)4-8/h2-6H,1H3,(H,15,17)
InChIKeyLNCOZOCLFKNZBB-UHFFFAOYSA-N
XLogP3.09
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.57
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-bromo-3-chlorophenyl)-1-methylpyrazole-4-carboxamide 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-(3,5-dichloro-4-hydroxyphenyl)-1-methylpyrazole-4-carboxamide
CID 82885113
N-(3-bromo-4-sulfamoylphenyl)-1-methylpyrazole-4-carboxamide
CID 43246535
N-(4-bromo-3-chlorophenyl)-1-methylpyrazole-3-carboxamide
CID 103824695
N-(4-bromo-3-chlorophenyl)-4-sulfanylbenzamide
CID 107617517
1-methyl-N-[3-(methylcarbamoyl)phenyl]pyrazole-4-carboxamide
CID 18146246
N-(2-bromo-5-methylphenyl)-1-methylpyrazole-4-carboxamide
CID 82757494
N-(4-bromo-3-chlorophenyl)-6-chloropyridine-3-carboxamide
CID 113278384
1-methyl-N-[4-(methylcarbamoylamino)phenyl]pyrazole-4-carboxamide
CID 47143175
N-[4-(dimethylamino)phenyl]-1-methylpyrazole-4-carboxamide
CID 110695872
4-bromo-3-chloro-N-(3-chloro-4-methylphenyl)benzamide
CID 81307032
N-[4-(hydroxymethyl)phenyl]-1-methylpyrazole-4-carboxamide
CID 64794504
N-(1H-indol-5-yl)-1-methylpyrazole-4-carboxamide
CID 110471413

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-chlorophenyl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-(4-bromo-3-chlorophenyl)-1-methylpyrazole-4-carboxamide (CID 103824882) is N-(4-bromo-3-chlorophenyl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(4-bromo-3-chlorophenyl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(4-bromo-3-chlorophenyl)-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)Nc2ccc(Br)c(Cl)c2)cn1.
What is the InChIKey of N-(4-bromo-3-chlorophenyl)-1-methylpyrazole-4-carboxamide?
The InChIKey is LNCOZOCLFKNZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrClN3O/c1-16-6-7(5-14-16)11(17)15-8-2-3-9(12)10(13)4-8/h2-6H,1H3,(H,15,17).
What are the key properties of N-(4-bromo-3-chlorophenyl)-1-methylpyrazole-4-carboxamide?
N-(4-bromo-3-chlorophenyl)-1-methylpyrazole-4-carboxamide has a molecular weight of 314.57 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-chlorophenyl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 103824882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).