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

C13H13BrClN3O — CID 113278409

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

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

N-(4-bromo-3-chlorophenyl)-2-ethyl-5-methylpyrazole-3-carboxamide (PubChem CID 113278409) has the molecular formula C13H13BrClN3O and a molecular weight of 342.62 g/mol. Its IUPAC name is N-(4-bromo-3-chlorophenyl)-2-ethyl-5-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-chlorophenyl)-2-ethyl-5-methylpyrazole-3-carboxamide
PubChem CID113278409
Molecular FormulaC13H13BrClN3O
Molecular Weight342.62 g/mol
Exact Mass340.99
IUPAC NameN-(4-bromo-3-chlorophenyl)-2-ethyl-5-methylpyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)Nc1ccc(Br)c(Cl)c1
InChIInChI=1S/C13H13BrClN3O/c1-3-18-12(6-8(2)17-18)13(19)16-9-4-5-10(14)11(15)7-9/h4-7H,3H2,1-2H3,(H,16,19)
InChIKeyWBNQHDDIJSMFHO-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-(2-bromo-4-chlorophenyl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 81027249
N-(3-bromo-4-methylphenyl)-1,3-diethylpyrazole-5-carboxamide
CID 66120808
N-(3-carbamothioyl-4-fluorophenyl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 66129104
2-ethyl-5-methyl-N-(4-propylsulfanylphenyl)pyrazole-3-carboxamide
CID 131946446
2-ethyl-N-(3-fluoro-4-methylsulfonylphenyl)-5-methylpyrazole-3-carboxamide
CID 71999243
4-amino-N-(4-bromo-3-chlorophenyl)-1-ethylpyrazole-5-carboxamide
CID 107618381
2-ethyl-N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-5-methylpyrazole-3-carboxamide
CID 77113127
2-ethyl-N-(9-ethylcarbazol-3-yl)-5-methylpyrazole-3-carboxamide
CID 60619206
4-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-2-methoxybenzoic acid
CID 136546905
5-bromo-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzoic acid
CID 66126977
N-(4-bromo-3-chlorophenyl)-1-methylpyrazole-3-carboxamide
CID 103824695
N-(5-chloropyrazin-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 107595898

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-chlorophenyl)-2-ethyl-5-methylpyrazole-3-carboxamide?
The IUPAC name of N-(4-bromo-3-chlorophenyl)-2-ethyl-5-methylpyrazole-3-carboxamide (CID 113278409) is N-(4-bromo-3-chlorophenyl)-2-ethyl-5-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(4-bromo-3-chlorophenyl)-2-ethyl-5-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(4-bromo-3-chlorophenyl)-2-ethyl-5-methylpyrazole-3-carboxamide is CCn1nc(C)cc1C(=O)Nc1ccc(Br)c(Cl)c1.
What is the InChIKey of N-(4-bromo-3-chlorophenyl)-2-ethyl-5-methylpyrazole-3-carboxamide?
The InChIKey is WBNQHDDIJSMFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClN3O/c1-3-18-12(6-8(2)17-18)13(19)16-9-4-5-10(14)11(15)7-9/h4-7H,3H2,1-2H3,(H,16,19).
What are the key properties of N-(4-bromo-3-chlorophenyl)-2-ethyl-5-methylpyrazole-3-carboxamide?
N-(4-bromo-3-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-(4-bromo-3-chlorophenyl)-2-ethyl-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 113278409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).