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

C12H11BrClN3O — CID 112699962

IUPAC4-bromo-3-chloro-N-(4-ethyl-1H-pyrazol-5-yl)benzamide
SMILESCCc1cn[nH]c1NC(=O)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C12H11BrClN3O/c1-2-7-6-15-17-11(7)16-12(18)8-3-4-9(13)10(14)5-8/h3-6H,2H2,1H3,(H2,15,16,17,18)
InChIKeyFPXQVFKOWRUALL-UHFFFAOYSA-N
MW328.60 g/mol
LogP3.64
Rot. Bonds3

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

4-bromo-3-chloro-N-(4-ethyl-1H-pyrazol-5-yl)benzamide (PubChem CID 112699962) has the molecular formula C12H11BrClN3O and a molecular weight of 328.60 g/mol. Its IUPAC name is 4-bromo-3-chloro-N-(4-ethyl-1H-pyrazol-5-yl)benzamide.

Molecular Properties

Compound Name4-bromo-3-chloro-N-(4-ethyl-1H-pyrazol-5-yl)benzamide
PubChem CID112699962
Molecular FormulaC12H11BrClN3O
Molecular Weight328.60 g/mol
Exact Mass326.98
IUPAC Name4-bromo-3-chloro-N-(4-ethyl-1H-pyrazol-5-yl)benzamide
SMILESCCc1cn[nH]c1NC(=O)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C12H11BrClN3O/c1-2-7-6-15-17-11(7)16-12(18)8-3-4-9(13)10(14)5-8/h3-6H,2H2,1H3,(H2,15,16,17,18)
InChIKeyFPXQVFKOWRUALL-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-bromo-5-chloro-N-(4-ethyl-1H-pyrazol-5-yl)benzamide
CID 113286320
2-bromo-N-(4-ethyl-1H-pyrazol-5-yl)pyridine-4-carboxamide
CID 113258806
4-bromo-3-chloro-N-(4-cyano-1H-pyrazol-5-yl)benzamide
CID 81296169
N-(4-ethyl-1H-pyrazol-5-yl)-3,4-difluorobenzamide
CID 113251945
N-(4-ethyl-1H-pyrazol-5-yl)-2H-benzotriazole-5-carboxamide
CID 115692336
2-bromo-N-(4-ethyl-1H-pyrazol-5-yl)-5-iodobenzamide
CID 113364233
N-(4-ethyl-1H-pyrazol-5-yl)-3-methoxy-4-methylbenzamide
CID 115680812
N-(3-amino-4-ethylphenyl)-4-bromo-3-chlorobenzamide
CID 81290420
N-(4-ethyl-1H-pyrazol-5-yl)pyrimidine-5-carboxamide
CID 104629328
4-[(dimethylamino)methyl]-N-(4-ethyl-1H-pyrazol-5-yl)benzamide
CID 115692357
N-(4-ethyl-1H-pyrazol-5-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 104619305
4,5-dichloro-N-(4-ethyl-1H-pyrazol-5-yl)-1-methylpyrrole-2-carboxamide
CID 112697051

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-N-(4-ethyl-1H-pyrazol-5-yl)benzamide?
The IUPAC name of 4-bromo-3-chloro-N-(4-ethyl-1H-pyrazol-5-yl)benzamide (CID 112699962) is 4-bromo-3-chloro-N-(4-ethyl-1H-pyrazol-5-yl)benzamide.
What is the SMILES notation for 4-bromo-3-chloro-N-(4-ethyl-1H-pyrazol-5-yl)benzamide?
The canonical SMILES for 4-bromo-3-chloro-N-(4-ethyl-1H-pyrazol-5-yl)benzamide is CCc1cn[nH]c1NC(=O)c1ccc(Br)c(Cl)c1.
What is the InChIKey of 4-bromo-3-chloro-N-(4-ethyl-1H-pyrazol-5-yl)benzamide?
The InChIKey is FPXQVFKOWRUALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClN3O/c1-2-7-6-15-17-11(7)16-12(18)8-3-4-9(13)10(14)5-8/h3-6H,2H2,1H3,(H2,15,16,17,18).
What are the key properties of 4-bromo-3-chloro-N-(4-ethyl-1H-pyrazol-5-yl)benzamide?
4-bromo-3-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 4-bromo-3-chloro-N-(4-ethyl-1H-pyrazol-5-yl)benzamide is sourced from PubChem (CID 112699962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).