2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(5-chloro-2-methoxyphenyl)ethanol

C15H18BrClN2O2 — CID 115812967

IUPAC2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(5-chloro-2-methoxyphenyl)ethanol
SMILESCCn1nc(C)c(Br)c1CC(O)c1cc(Cl)ccc1OC
InChIInChI=1S/C15H18BrClN2O2/c1-4-19-12(15(16)9(2)18-19)8-13(20)11-7-10(17)5-6-14(11)21-3/h5-7,13,20H,4,8H2,1-3H3
InChIKeyLKIJQBDOCPNCPX-UHFFFAOYSA-N
MW373.68 g/mol
LogP3.91
Rot. Bonds5

About 2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(5-chloro-2-methoxyphenyl)ethanol

2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(5-chloro-2-methoxyphenyl)ethanol (PubChem CID 115812967) has the molecular formula C15H18BrClN2O2 and a molecular weight of 373.68 g/mol. Its IUPAC name is 2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(5-chloro-2-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(5-chloro-2-methoxyphenyl)ethanol
PubChem CID115812967
Molecular FormulaC15H18BrClN2O2
Molecular Weight373.68 g/mol
Exact Mass372.02
IUPAC Name2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(5-chloro-2-methoxyphenyl)ethanol
SMILESCCn1nc(C)c(Br)c1CC(O)c1cc(Cl)ccc1OC
InChIInChI=1S/C15H18BrClN2O2/c1-4-19-12(15(16)9(2)18-19)8-13(20)11-7-10(17)5-6-14(11)21-3/h5-7,13,20H,4,8H2,1-3H3
InChIKeyLKIJQBDOCPNCPX-UHFFFAOYSA-N
XLogP3.91
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.68
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-amino-3-methoxyphenyl)-2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)ethanol
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CID 115812822
[2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2,5-dichlorophenyl)ethyl]hydrazine
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2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(4-chlorothiophen-2-yl)ethanol
CID 79428097
2-(4-bromophenyl)-1-(5-chloro-2-methoxyphenyl)ethanol
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3-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-2-(4-chlorophenyl)propan-1-ol
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1-(5-chloro-2-methoxyphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanol
CID 115826173
1-(5-chloro-2-methoxyphenyl)-2-pyridin-4-ylethanol
CID 55116184
1-(3-aminophenyl)-2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)ethanol
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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(5-chloro-2-methoxyphenyl)ethanol?
The IUPAC name of 2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(5-chloro-2-methoxyphenyl)ethanol (CID 115812967) is 2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(5-chloro-2-methoxyphenyl)ethanol.
What is the SMILES notation for 2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(5-chloro-2-methoxyphenyl)ethanol?
The canonical SMILES for 2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(5-chloro-2-methoxyphenyl)ethanol is CCn1nc(C)c(Br)c1CC(O)c1cc(Cl)ccc1OC.
What is the InChIKey of 2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(5-chloro-2-methoxyphenyl)ethanol?
The InChIKey is LKIJQBDOCPNCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrClN2O2/c1-4-19-12(15(16)9(2)18-19)8-13(20)11-7-10(17)5-6-14(11)21-3/h5-7,13,20H,4,8H2,1-3H3.
What are the key properties of 2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(5-chloro-2-methoxyphenyl)ethanol?
2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(5-chloro-2-methoxyphenyl)ethanol has a molecular weight of 373.68 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(5-chloro-2-methoxyphenyl)ethanol is sourced from PubChem (CID 115812967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).