N-(2-bromo-5-chloro-4-methylphenyl)-1H-pyrazole-4-carboxamide

C11H9BrClN3O — CID 104724206

IUPACN-(2-bromo-5-chloro-4-methylphenyl)-1H-pyrazole-4-carboxamide
SMILESCc1cc(Br)c(NC(=O)c2cn[nH]c2)cc1Cl
InChIInChI=1S/C11H9BrClN3O/c1-6-2-8(12)10(3-9(6)13)16-11(17)7-4-14-15-5-7/h2-5H,1H3,(H,14,15)(H,16,17)
InChIKeyZXUUZGBEAKKKTE-UHFFFAOYSA-N
MW314.57 g/mol
LogP3.39
Rot. Bonds2

About N-(2-bromo-5-chloro-4-methylphenyl)-1H-pyrazole-4-carboxamide

N-(2-bromo-5-chloro-4-methylphenyl)-1H-pyrazole-4-carboxamide (PubChem CID 104724206) has the molecular formula C11H9BrClN3O and a molecular weight of 314.57 g/mol. Its IUPAC name is N-(2-bromo-5-chloro-4-methylphenyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-5-chloro-4-methylphenyl)-1H-pyrazole-4-carboxamide
PubChem CID104724206
Molecular FormulaC11H9BrClN3O
Molecular Weight314.57 g/mol
Exact Mass312.96
IUPAC NameN-(2-bromo-5-chloro-4-methylphenyl)-1H-pyrazole-4-carboxamide
SMILESCc1cc(Br)c(NC(=O)c2cn[nH]c2)cc1Cl
InChIInChI=1S/C11H9BrClN3O/c1-6-2-8(12)10(3-9(6)13)16-11(17)7-4-14-15-5-7/h2-5H,1H3,(H,14,15)(H,16,17)
InChIKeyZXUUZGBEAKKKTE-UHFFFAOYSA-N
XLogP3.39
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.57
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chloro-2-methoxy-5-methylphenyl)-1H-pyrazole-4-carboxamide
CID 43532961
N-(2-bromo-5-chloro-4-methylphenyl)pyridine-4-carboxamide
CID 104723857
N-(2-bromo-5-chloro-4-methylphenyl)pyridine-2-carboxamide
CID 113445582
N-(2-bromo-5-chloro-4-methylphenyl)-4-hydrazinyl-3-methylbenzamide
CID 104725197
N-(2-bromo-5-chloro-4-methylphenyl)-2,5-dichloropyridine-4-carboxamide
CID 114918857
4-bromo-N-(2-bromo-5-chloro-4-methylphenyl)-3-fluorobenzamide
CID 104723980
N-(2-bromo-5-chloro-4-methylphenyl)-3-fluoro-4-methylbenzamide
CID 104724099
4-(aminomethyl)-N-(2-bromo-5-chloro-4-methylphenyl)benzamide
CID 104723637
N-(2-bromo-5-chloro-4-methylphenyl)-5-methyl-1H-1,2,4-triazole-3-carboxamide
CID 104725016
N-(2,5-dichlorophenyl)-1H-pyrazole-4-carboxamide
CID 43582385
N-(2-bromo-5-chloro-4-methylphenyl)-6-(methylamino)pyridazine-3-carboxamide
CID 104725169
N-(2-bromophenyl)-1H-pyrazole-4-carboxamide
CID 43532862

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-chloro-4-methylphenyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(2-bromo-5-chloro-4-methylphenyl)-1H-pyrazole-4-carboxamide (CID 104724206) is N-(2-bromo-5-chloro-4-methylphenyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(2-bromo-5-chloro-4-methylphenyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(2-bromo-5-chloro-4-methylphenyl)-1H-pyrazole-4-carboxamide is Cc1cc(Br)c(NC(=O)c2cn[nH]c2)cc1Cl.
What is the InChIKey of N-(2-bromo-5-chloro-4-methylphenyl)-1H-pyrazole-4-carboxamide?
The InChIKey is ZXUUZGBEAKKKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrClN3O/c1-6-2-8(12)10(3-9(6)13)16-11(17)7-4-14-15-5-7/h2-5H,1H3,(H,14,15)(H,16,17).
What are the key properties of N-(2-bromo-5-chloro-4-methylphenyl)-1H-pyrazole-4-carboxamide?
N-(2-bromo-5-chloro-4-methylphenyl)-1H-pyrazole-4-carboxamide has a molecular weight of 314.57 g/mol, XLogP of 3.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-chloro-4-methylphenyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 104724206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).