5-(4-bromo-2-ethoxyphenyl)-4-chloro-1,3-diethylpyrazole

C15H18BrClN2O — CID 153296114

IUPAC5-(4-bromo-2-ethoxyphenyl)-4-chloro-1,3-diethylpyrazole
SMILESCCOc1cc(Br)ccc1-c1c(Cl)c(CC)nn1CC
InChIInChI=1S/C15H18BrClN2O/c1-4-12-14(17)15(19(5-2)18-12)11-8-7-10(16)9-13(11)20-6-3/h7-9H,4-6H2,1-3H3
InChIKeyGYAXFPMSMWRYHK-UHFFFAOYSA-N
MW357.68 g/mol
LogP4.95
Rot. Bonds5

About 5-(4-bromo-2-ethoxyphenyl)-4-chloro-1,3-diethylpyrazole

5-(4-bromo-2-ethoxyphenyl)-4-chloro-1,3-diethylpyrazole (PubChem CID 153296114) has the molecular formula C15H18BrClN2O and a molecular weight of 357.68 g/mol. Its IUPAC name is 5-(4-bromo-2-ethoxyphenyl)-4-chloro-1,3-diethylpyrazole.

Molecular Properties

Compound Name5-(4-bromo-2-ethoxyphenyl)-4-chloro-1,3-diethylpyrazole
PubChem CID153296114
Molecular FormulaC15H18BrClN2O
Molecular Weight357.68 g/mol
Exact Mass356.03
IUPAC Name5-(4-bromo-2-ethoxyphenyl)-4-chloro-1,3-diethylpyrazole
SMILESCCOc1cc(Br)ccc1-c1c(Cl)c(CC)nn1CC
InChIInChI=1S/C15H18BrClN2O/c1-4-12-14(17)15(19(5-2)18-12)11-8-7-10(16)9-13(11)20-6-3/h7-9H,4-6H2,1-3H3
InChIKeyGYAXFPMSMWRYHK-UHFFFAOYSA-N
XLogP4.95
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.68
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-5-[2-(difluoromethoxy)-4-[(2S)-3,3,3-trifluoro-2-methylpropyl]phenyl]-1,3-diethylpyrazole
CID 153295881
ethyl 5-(4-bromo-2-propan-2-yloxyphenyl)-4-chloro-1-ethylpyrazole-3-carboxylate
CID 146287541
ethyl 5-(4-bromo-2-ethylphenyl)-4-chloro-1-ethylpyrazole-3-carboxylate
CID 146287542
4-chloro-5-[2-(difluoromethoxy)-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-1,3-diethylpyrazole
CID 153295995
6-chloro-3-(4-chloro-1,3-diethylpyrazol-5-yl)-2-(difluoromethoxy)pyridine
CID 153296742
4-chloro-5-[2-(difluoromethoxy)-4-(4,4,4-trifluoro-2,2-dimethylbutyl)phenyl]-1,3-diethylpyrazole
CID 153296144
carbon dioxide;2-chloro-5-(4-chloro-1,3-diethylpyrazol-5-yl)-4-(difluoromethoxy)pyridine
CID 161297245
3-(4-chloro-1,3-diethylpyrazol-5-yl)-1-hydroxy-4-propan-2-ylpyridin-1-ium
CID 153296616
5-(4-bromo-2-methoxyphenyl)-4-chloro-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide
CID 153295935
carbon dioxide;3-(4-chloro-1,3-diethylpyrazol-5-yl)-4-propan-2-ylpyridine
CID 158439688
ethyl 5-(4-bromo-2-methoxyphenyl)-4-chloro-1-(2-hydroxy-2-methylpropyl)pyrazole-3-carboxylate
CID 146287616
5-bromo-2-[(4-chloro-1,3-diethylpyrazol-5-yl)methylsulfinyl]aniline
CID 81185909

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-2-ethoxyphenyl)-4-chloro-1,3-diethylpyrazole?
The IUPAC name of 5-(4-bromo-2-ethoxyphenyl)-4-chloro-1,3-diethylpyrazole (CID 153296114) is 5-(4-bromo-2-ethoxyphenyl)-4-chloro-1,3-diethylpyrazole.
What is the SMILES notation for 5-(4-bromo-2-ethoxyphenyl)-4-chloro-1,3-diethylpyrazole?
The canonical SMILES for 5-(4-bromo-2-ethoxyphenyl)-4-chloro-1,3-diethylpyrazole is CCOc1cc(Br)ccc1-c1c(Cl)c(CC)nn1CC.
What is the InChIKey of 5-(4-bromo-2-ethoxyphenyl)-4-chloro-1,3-diethylpyrazole?
The InChIKey is GYAXFPMSMWRYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrClN2O/c1-4-12-14(17)15(19(5-2)18-12)11-8-7-10(16)9-13(11)20-6-3/h7-9H,4-6H2,1-3H3.
What are the key properties of 5-(4-bromo-2-ethoxyphenyl)-4-chloro-1,3-diethylpyrazole?
5-(4-bromo-2-ethoxyphenyl)-4-chloro-1,3-diethylpyrazole has a molecular weight of 357.68 g/mol, XLogP of 4.95, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-2-ethoxyphenyl)-4-chloro-1,3-diethylpyrazole is sourced from PubChem (CID 153296114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).