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

C11H9BrClN3O — CID 103824695

IUPACN-(4-bromo-3-chlorophenyl)-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)Nc2ccc(Br)c(Cl)c2)n1
InChIInChI=1S/C11H9BrClN3O/c1-16-5-4-10(15-16)11(17)14-7-2-3-8(12)9(13)6-7/h2-6H,1H3,(H,14,17)
InChIKeyFREFMVKRJJCNRC-UHFFFAOYSA-N
MW314.57 g/mol
LogP3.09
Rot. Bonds2

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

N-(4-bromo-3-chlorophenyl)-1-methylpyrazole-3-carboxamide (PubChem CID 103824695) 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-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-chlorophenyl)-1-methylpyrazole-3-carboxamide
PubChem CID103824695
Molecular FormulaC11H9BrClN3O
Molecular Weight314.57 g/mol
Exact Mass312.96
IUPAC NameN-(4-bromo-3-chlorophenyl)-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)Nc2ccc(Br)c(Cl)c2)n1
InChIInChI=1S/C11H9BrClN3O/c1-16-5-4-10(15-16)11(17)14-7-2-3-8(12)9(13)6-7/h2-6H,1H3,(H,14,17)
InChIKeyFREFMVKRJJCNRC-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

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Related Compounds

N-(4-chloro-3-hydroxyphenyl)-1-methylpyrazole-3-carboxamide
CID 103119634
N-(4-bromo-3-chlorophenyl)-1-methylpyrazole-4-carboxamide
CID 103824882
N-(3,4-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 573313
N-(4-bromo-3,5-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 106509676
4-bromo-1-methyl-N-[3-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazole-5-carboxamide
CID 19475191
N-[3-[(4-bromo-1H-pyrazole-5-carbonyl)amino]phenyl]-1-methylpyrazole-3-carboxamide
CID 19511434
N-(3-amino-4-ethylphenyl)-1-methylpyrazole-3-carboxamide
CID 103116113
4-amino-N-(4-bromo-3-chlorophenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 107618406
4-bromo-1-ethyl-N-[4-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazole-3-carboxamide
CID 19267490
1-methyl-N-[4-(pyridin-4-ylmethyl)phenyl]pyrazole-3-carboxamide
CID 136522811
N-(4-bromo-3-chlorophenyl)-6-chloropyridine-3-carboxamide
CID 113278384
N-(4-bromo-3-chlorophenyl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 113278409

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-chlorophenyl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-(4-bromo-3-chlorophenyl)-1-methylpyrazole-3-carboxamide (CID 103824695) is N-(4-bromo-3-chlorophenyl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(4-bromo-3-chlorophenyl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(4-bromo-3-chlorophenyl)-1-methylpyrazole-3-carboxamide is Cn1ccc(C(=O)Nc2ccc(Br)c(Cl)c2)n1.
What is the InChIKey of N-(4-bromo-3-chlorophenyl)-1-methylpyrazole-3-carboxamide?
The InChIKey is FREFMVKRJJCNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrClN3O/c1-16-5-4-10(15-16)11(17)14-7-2-3-8(12)9(13)6-7/h2-6H,1H3,(H,14,17).
What are the key properties of N-(4-bromo-3-chlorophenyl)-1-methylpyrazole-3-carboxamide?
N-(4-bromo-3-chlorophenyl)-1-methylpyrazole-3-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-3-carboxamide is sourced from PubChem (CID 103824695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).