(1R)-1-[4-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-2-fluorophenyl]ethanol

C15H18BrFN2O2 — CID 107720247

IUPAC(1R)-1-[4-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-2-fluorophenyl]ethanol
SMILESCCn1nc(C)c(Br)c1COc1ccc([C@@H](C)O)c(F)c1
InChIInChI=1S/C15H18BrFN2O2/c1-4-19-14(15(16)9(2)18-19)8-21-11-5-6-12(10(3)20)13(17)7-11/h5-7,10,20H,4,8H2,1-3H3/t10-/m1/s1
InChIKeyGLNRMMKEELFKNM-SNVBAGLBSA-N
MW357.22 g/mol
LogP3.75
Rot. Bonds5

About (1R)-1-[4-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-2-fluorophenyl]ethanol

(1R)-1-[4-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-2-fluorophenyl]ethanol (PubChem CID 107720247) has the molecular formula C15H18BrFN2O2 and a molecular weight of 357.22 g/mol. Its IUPAC name is (1R)-1-[4-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-2-fluorophenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-2-fluorophenyl]ethanol
PubChem CID107720247
Molecular FormulaC15H18BrFN2O2
Molecular Weight357.22 g/mol
Exact Mass356.05
IUPAC Name(1R)-1-[4-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-2-fluorophenyl]ethanol
SMILESCCn1nc(C)c(Br)c1COc1ccc([C@@H](C)O)c(F)c1
InChIInChI=1S/C15H18BrFN2O2/c1-4-19-14(15(16)9(2)18-19)8-21-11-5-6-12(10(3)20)13(17)7-11/h5-7,10,20H,4,8H2,1-3H3/t10-/m1/s1
InChIKeyGLNRMMKEELFKNM-SNVBAGLBSA-N
XLogP3.75
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.22
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R)-1-[4-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-2-fluorophenyl]ethanol with MolForge

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Related Compounds

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5-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-2-(bromomethyl)pyridine
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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-2-fluorophenyl]ethanol?
The IUPAC name of (1R)-1-[4-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-2-fluorophenyl]ethanol (CID 107720247) is (1R)-1-[4-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-2-fluorophenyl]ethanol.
What is the SMILES notation for (1R)-1-[4-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-2-fluorophenyl]ethanol?
The canonical SMILES for (1R)-1-[4-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-2-fluorophenyl]ethanol is CCn1nc(C)c(Br)c1COc1ccc([C@@H](C)O)c(F)c1.
What is the InChIKey of (1R)-1-[4-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-2-fluorophenyl]ethanol?
The InChIKey is GLNRMMKEELFKNM-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H18BrFN2O2/c1-4-19-14(15(16)9(2)18-19)8-21-11-5-6-12(10(3)20)13(17)7-11/h5-7,10,20H,4,8H2,1-3H3/t10-/m1/s1.
What are the key properties of (1R)-1-[4-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-2-fluorophenyl]ethanol?
(1R)-1-[4-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-2-fluorophenyl]ethanol has a molecular weight of 357.22 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-2-fluorophenyl]ethanol is sourced from PubChem (CID 107720247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).