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

C12H11BrClN3O — CID 973637

IUPAC4-bromo-N-(3-chlorophenyl)-1-ethylpyrazole-3-carboxamide
SMILESCCn1cc(Br)c(C(=O)Nc2cccc(Cl)c2)n1
InChIInChI=1S/C12H11BrClN3O/c1-2-17-7-10(13)11(16-17)12(18)15-9-5-3-4-8(14)6-9/h3-7H,2H2,1H3,(H,15,18)
InChIKeyICYGBHBENYRPIZ-UHFFFAOYSA-N
MW328.60 g/mol
LogP3.57
Rot. Bonds3

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

4-bromo-N-(3-chlorophenyl)-1-ethylpyrazole-3-carboxamide (PubChem CID 973637) has the molecular formula C12H11BrClN3O and a molecular weight of 328.60 g/mol. Its IUPAC name is 4-bromo-N-(3-chlorophenyl)-1-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(3-chlorophenyl)-1-ethylpyrazole-3-carboxamide
PubChem CID973637
Molecular FormulaC12H11BrClN3O
Molecular Weight328.60 g/mol
Exact Mass326.98
IUPAC Name4-bromo-N-(3-chlorophenyl)-1-ethylpyrazole-3-carboxamide
SMILESCCn1cc(Br)c(C(=O)Nc2cccc(Cl)c2)n1
InChIInChI=1S/C12H11BrClN3O/c1-2-17-7-10(13)11(16-17)12(18)15-9-5-3-4-8(14)6-9/h3-7H,2H2,1H3,(H,15,18)
InChIKeyICYGBHBENYRPIZ-UHFFFAOYSA-N
XLogP3.57
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.60
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chlorophenyl)-1-methyl-4-nitro-1H-pyrazole-5-carboxamide
CID 739812
4-bromo-N-(2,4-difluorophenyl)-1-ethyl-1H-pyrazole-3-carboxamide
CID 891679
N-(2-bromophenyl)-N'-[(4-chloro-1-ethyl-1H-pyrazol-5-yl)carbonyl]thiourea
CID 1226311
N-(2,5-dichlorophenyl)-1-methyl-1H-pyrazole-5-carboxamide
CID 840311
4-bromo-N-(3-chloro-4-fluorophenyl)-1-ethyl-1H-pyrazole-3-carboxamide
CID 755380
N-(3-chlorophenyl)-1-ethyl-5-methyl-4-pyrazolecarboxamide
CID 832064
N-(3-chlorophenyl)-1-ethyl-1H-pyrazole-3-carboxamide
CID 891989
4-bromo-N-(2,4-difluorophenyl)-1-ethyl-1H-pyrazole-5-carboxamide
CID 892592
N-(2,4-dichlorophenyl)-1-ethyl-1H-pyrazole-5-carboxamide
CID 892997
4-chloro-N-(3-chlorophenyl)-1-methyl-1H-pyrazole-5-carboxamide
CID 903329
N-(2,4-dibromophenyl)-1-methyl-1H-pyrazole-3-carboxamide
CID 1009261
N-(3,4-dichlorophenyl)-1-ethyl-1H-pyrazole-5-carboxamide
CID 1224613

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-chlorophenyl)-1-ethylpyrazole-3-carboxamide?
The IUPAC name of 4-bromo-N-(3-chlorophenyl)-1-ethylpyrazole-3-carboxamide (CID 973637) is 4-bromo-N-(3-chlorophenyl)-1-ethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-N-(3-chlorophenyl)-1-ethylpyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-N-(3-chlorophenyl)-1-ethylpyrazole-3-carboxamide is CCn1cc(Br)c(C(=O)Nc2cccc(Cl)c2)n1.
What is the InChIKey of 4-bromo-N-(3-chlorophenyl)-1-ethylpyrazole-3-carboxamide?
The InChIKey is ICYGBHBENYRPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClN3O/c1-2-17-7-10(13)11(16-17)12(18)15-9-5-3-4-8(14)6-9/h3-7H,2H2,1H3,(H,15,18).
What are the key properties of 4-bromo-N-(3-chlorophenyl)-1-ethylpyrazole-3-carboxamide?
4-bromo-N-(3-chlorophenyl)-1-ethylpyrazole-3-carboxamide has a molecular weight of 328.60 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3-chlorophenyl)-1-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 973637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).