3-bromo-5-chloro-N-(4-ethyl-1H-pyrazol-5-yl)benzamide

C12H11BrClN3O — CID 113286320

IUPAC3-bromo-5-chloro-N-(4-ethyl-1H-pyrazol-5-yl)benzamide
SMILESCCc1cn[nH]c1NC(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C12H11BrClN3O/c1-2-7-6-15-17-11(7)16-12(18)8-3-9(13)5-10(14)4-8/h3-6H,2H2,1H3,(H2,15,16,17,18)
InChIKeyVOUVKBIIVHJGEF-UHFFFAOYSA-N
MW328.60 g/mol
LogP3.64
Rot. Bonds3

About 3-bromo-5-chloro-N-(4-ethyl-1H-pyrazol-5-yl)benzamide

3-bromo-5-chloro-N-(4-ethyl-1H-pyrazol-5-yl)benzamide (PubChem CID 113286320) has the molecular formula C12H11BrClN3O and a molecular weight of 328.60 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-(4-ethyl-1H-pyrazol-5-yl)benzamide.

Molecular Properties

Compound Name3-bromo-5-chloro-N-(4-ethyl-1H-pyrazol-5-yl)benzamide
PubChem CID113286320
Molecular FormulaC12H11BrClN3O
Molecular Weight328.60 g/mol
Exact Mass326.98
IUPAC Name3-bromo-5-chloro-N-(4-ethyl-1H-pyrazol-5-yl)benzamide
SMILESCCc1cn[nH]c1NC(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C12H11BrClN3O/c1-2-7-6-15-17-11(7)16-12(18)8-3-9(13)5-10(14)4-8/h3-6H,2H2,1H3,(H2,15,16,17,18)
InChIKeyVOUVKBIIVHJGEF-UHFFFAOYSA-N
XLogP3.64
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.60
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-(4-ethyl-1H-pyrazol-5-yl)-5-nitrobenzamide
CID 115692475
4-bromo-3-chloro-N-(4-ethyl-1H-pyrazol-5-yl)benzamide
CID 112699962
2-bromo-N-(4-ethyl-1H-pyrazol-5-yl)pyridine-4-carboxamide
CID 113258806
N-(4-ethyl-1H-pyrazol-5-yl)-3,4-difluorobenzamide
CID 113251945
4,5-dichloro-N-(4-ethyl-1H-pyrazol-5-yl)-1-methylpyrrole-2-carboxamide
CID 112697051
3-bromo-5-chloro-N-(4-ethylphenyl)benzamide
CID 107951503
N-(4-ethyl-1H-pyrazol-5-yl)-2H-benzotriazole-5-carboxamide
CID 115692336
3-bromo-5-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzamide
CID 113286216
4-chloro-N-(4-ethyl-1H-pyrazol-5-yl)-1-propylpyrrole-2-carboxamide
CID 104620364
3-bromo-5-chloro-N-(2,4,6-tribromophenyl)benzamide
CID 107951551
2-bromo-N-(4-ethyl-1H-pyrazol-5-yl)-5-iodobenzamide
CID 113364233
3-bromo-5-chloro-N-(5-chloropyrazin-2-yl)benzamide
CID 107944218

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-(4-ethyl-1H-pyrazol-5-yl)benzamide?
The IUPAC name of 3-bromo-5-chloro-N-(4-ethyl-1H-pyrazol-5-yl)benzamide (CID 113286320) is 3-bromo-5-chloro-N-(4-ethyl-1H-pyrazol-5-yl)benzamide.
What is the SMILES notation for 3-bromo-5-chloro-N-(4-ethyl-1H-pyrazol-5-yl)benzamide?
The canonical SMILES for 3-bromo-5-chloro-N-(4-ethyl-1H-pyrazol-5-yl)benzamide is CCc1cn[nH]c1NC(=O)c1cc(Cl)cc(Br)c1.
What is the InChIKey of 3-bromo-5-chloro-N-(4-ethyl-1H-pyrazol-5-yl)benzamide?
The InChIKey is VOUVKBIIVHJGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClN3O/c1-2-7-6-15-17-11(7)16-12(18)8-3-9(13)5-10(14)4-8/h3-6H,2H2,1H3,(H2,15,16,17,18).
What are the key properties of 3-bromo-5-chloro-N-(4-ethyl-1H-pyrazol-5-yl)benzamide?
3-bromo-5-chloro-N-(4-ethyl-1H-pyrazol-5-yl)benzamide has a molecular weight of 328.60 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-(4-ethyl-1H-pyrazol-5-yl)benzamide is sourced from PubChem (CID 113286320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).