(1R)-1-[3-bromo-4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanol

C14H17BrN2O2 — CID 104893650

IUPAC(1R)-1-[3-bromo-4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanol
SMILESCC(C)n1cc(Oc2ccc([C@@H](C)O)cc2Br)cn1
InChIInChI=1S/C14H17BrN2O2/c1-9(2)17-8-12(7-16-17)19-14-5-4-11(10(3)18)6-13(14)15/h4-10,18H,1-3H3/t10-/m1/s1
InChIKeyGWVWLAZHCDBPBY-SNVBAGLBSA-N
MW325.21 g/mol
LogP4.07
Rot. Bonds4

About (1R)-1-[3-bromo-4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanol

(1R)-1-[3-bromo-4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanol (PubChem CID 104893650) has the molecular formula C14H17BrN2O2 and a molecular weight of 325.21 g/mol. Its IUPAC name is (1R)-1-[3-bromo-4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[3-bromo-4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanol
PubChem CID104893650
Molecular FormulaC14H17BrN2O2
Molecular Weight325.21 g/mol
Exact Mass324.05
IUPAC Name(1R)-1-[3-bromo-4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanol
SMILESCC(C)n1cc(Oc2ccc([C@@H](C)O)cc2Br)cn1
InChIInChI=1S/C14H17BrN2O2/c1-9(2)17-8-12(7-16-17)19-14-5-4-11(10(3)18)6-13(14)15/h4-10,18H,1-3H3/t10-/m1/s1
InChIKeyGWVWLAZHCDBPBY-SNVBAGLBSA-N
XLogP4.07
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-[3-bromo-4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanamine
CID 104893574
[3-bromo-4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]methanamine
CID 116800206
(1S)-1-(3-bromo-4-pyridin-3-yloxyphenyl)ethanol
CID 78941748
(1S)-1-[3-bromo-4-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanol
CID 55183060
1-[2-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanol
CID 116802017
5-bromo-2-(1-propan-2-ylpyrazol-4-yl)oxybenzenecarbothioamide
CID 114892301
(1S)-1-[3-bromo-4-(3,5-dichlorophenoxy)phenyl]ethanol
CID 55221480
5-bromo-2-(1-propan-2-ylpyrazol-4-yl)oxybenzonitrile
CID 114891103
(1S)-1-[3-bromo-4-(4-tert-butylphenoxy)phenyl]ethanol
CID 78944751
4-bromo-2-(1-propan-2-ylpyrazol-4-yl)oxyaniline
CID 116800549
1-[3-chloro-4-(1-methylpyrazol-4-yl)oxyphenyl]ethanol
CID 116793012
4-[5-bromo-2-(bromomethyl)phenoxy]-1-propan-2-ylpyrazole
CID 107089280

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-bromo-4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanol?
The IUPAC name of (1R)-1-[3-bromo-4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanol (CID 104893650) is (1R)-1-[3-bromo-4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanol.
What is the SMILES notation for (1R)-1-[3-bromo-4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanol?
The canonical SMILES for (1R)-1-[3-bromo-4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanol is CC(C)n1cc(Oc2ccc([C@@H](C)O)cc2Br)cn1.
What is the InChIKey of (1R)-1-[3-bromo-4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanol?
The InChIKey is GWVWLAZHCDBPBY-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H17BrN2O2/c1-9(2)17-8-12(7-16-17)19-14-5-4-11(10(3)18)6-13(14)15/h4-10,18H,1-3H3/t10-/m1/s1.
What are the key properties of (1R)-1-[3-bromo-4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanol?
(1R)-1-[3-bromo-4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanol has a molecular weight of 325.21 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-bromo-4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanol is sourced from PubChem (CID 104893650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).