N-(2-bromo-4-chlorophenyl)-2-ethyl-5-methylpyrazole-3-carboxamide

C13H13BrClN3O — CID 81027249

IUPACN-(2-bromo-4-chlorophenyl)-2-ethyl-5-methylpyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)Nc1ccc(Cl)cc1Br
InChIInChI=1S/C13H13BrClN3O/c1-3-18-12(6-8(2)17-18)13(19)16-11-5-4-9(15)7-10(11)14/h4-7H,3H2,1-2H3,(H,16,19)
InChIKeySXLSLTAQAJVUDO-UHFFFAOYSA-N
MW342.62 g/mol
LogP3.88
Rot. Bonds3

About N-(2-bromo-4-chlorophenyl)-2-ethyl-5-methylpyrazole-3-carboxamide

N-(2-bromo-4-chlorophenyl)-2-ethyl-5-methylpyrazole-3-carboxamide (PubChem CID 81027249) has the molecular formula C13H13BrClN3O and a molecular weight of 342.62 g/mol. Its IUPAC name is N-(2-bromo-4-chlorophenyl)-2-ethyl-5-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-chlorophenyl)-2-ethyl-5-methylpyrazole-3-carboxamide
PubChem CID81027249
Molecular FormulaC13H13BrClN3O
Molecular Weight342.62 g/mol
Exact Mass340.99
IUPAC NameN-(2-bromo-4-chlorophenyl)-2-ethyl-5-methylpyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)Nc1ccc(Cl)cc1Br
InChIInChI=1S/C13H13BrClN3O/c1-3-18-12(6-8(2)17-18)13(19)16-11-5-4-9(15)7-10(11)14/h4-7H,3H2,1-2H3,(H,16,19)
InChIKeySXLSLTAQAJVUDO-UHFFFAOYSA-N
XLogP3.88
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.62
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-3-chlorophenyl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 113278409
5-bromo-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzoic acid
CID 66126977
N-(5-chloropyrazin-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 107595898
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-ethyl-5-methylpyrazole-3-carboxamide
CID 110931263
N-(2-bromo-4-chlorophenyl)-6-methylpyridine-3-carboxamide
CID 81024583
N-(2-bromo-4-chlorophenyl)-2,6-dimethylpyridine-3-carboxamide
CID 81024100
3-chloro-N-(2-ethyl-5-methylpyrazol-3-yl)benzamide
CID 45284642
N-(2-bromo-4-chlorophenyl)-1-(2,2-difluoroethyl)pyrrole-2-carboxamide
CID 114609297
N-(3-carbamothioyl-4-fluorophenyl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 66129104
N-(2-bromo-4-chlorophenyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 103774923
(4-bromo-1-methylpyrazol-5-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanone
CID 105135353
(3-bromofuran-2-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanone
CID 105101696

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-chlorophenyl)-2-ethyl-5-methylpyrazole-3-carboxamide?
The IUPAC name of N-(2-bromo-4-chlorophenyl)-2-ethyl-5-methylpyrazole-3-carboxamide (CID 81027249) is N-(2-bromo-4-chlorophenyl)-2-ethyl-5-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(2-bromo-4-chlorophenyl)-2-ethyl-5-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(2-bromo-4-chlorophenyl)-2-ethyl-5-methylpyrazole-3-carboxamide is CCn1nc(C)cc1C(=O)Nc1ccc(Cl)cc1Br.
What is the InChIKey of N-(2-bromo-4-chlorophenyl)-2-ethyl-5-methylpyrazole-3-carboxamide?
The InChIKey is SXLSLTAQAJVUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClN3O/c1-3-18-12(6-8(2)17-18)13(19)16-11-5-4-9(15)7-10(11)14/h4-7H,3H2,1-2H3,(H,16,19).
What are the key properties of N-(2-bromo-4-chlorophenyl)-2-ethyl-5-methylpyrazole-3-carboxamide?
N-(2-bromo-4-chlorophenyl)-2-ethyl-5-methylpyrazole-3-carboxamide has a molecular weight of 342.62 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-chlorophenyl)-2-ethyl-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 81027249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).