(1R)-1-[2-[(1-pentan-3-ylpyrazol-3-yl)methoxy]phenyl]ethanol

C17H24N2O2 — CID 79001134

IUPAC(1R)-1-[2-[(1-pentan-3-ylpyrazol-3-yl)methoxy]phenyl]ethanol
SMILESCCC(CC)n1ccc(COc2ccccc2[C@@H](C)O)n1
InChIInChI=1S/C17H24N2O2/c1-4-15(5-2)19-11-10-14(18-19)12-21-17-9-7-6-8-16(17)13(3)20/h6-11,13,15,20H,4-5,12H2,1-3H3/t13-/m1/s1
InChIKeyDRJFNEVTWQQBRS-CYBMUJFWSA-N
MW288.39 g/mol
LogP3.88
Rot. Bonds7

About (1R)-1-[2-[(1-pentan-3-ylpyrazol-3-yl)methoxy]phenyl]ethanol

(1R)-1-[2-[(1-pentan-3-ylpyrazol-3-yl)methoxy]phenyl]ethanol (PubChem CID 79001134) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is (1R)-1-[2-[(1-pentan-3-ylpyrazol-3-yl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-[(1-pentan-3-ylpyrazol-3-yl)methoxy]phenyl]ethanol
PubChem CID79001134
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name(1R)-1-[2-[(1-pentan-3-ylpyrazol-3-yl)methoxy]phenyl]ethanol
SMILESCCC(CC)n1ccc(COc2ccccc2[C@@H](C)O)n1
InChIInChI=1S/C17H24N2O2/c1-4-15(5-2)19-11-10-14(18-19)12-21-17-9-7-6-8-16(17)13(3)20/h6-11,13,15,20H,4-5,12H2,1-3H3/t13-/m1/s1
InChIKeyDRJFNEVTWQQBRS-CYBMUJFWSA-N
XLogP3.88
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(1-pentan-3-ylpyrazol-3-yl)methoxy]phenyl]ethanol
CID 107713285
(1S)-1-[4-methyl-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanol
CID 79000441
(1S)-1-[2-(1,3-thiazol-4-ylmethoxy)phenyl]ethanol
CID 78931487
(1S)-1-[2-(pyrimidin-2-ylmethoxy)phenyl]ethanol
CID 78931636
1-[2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]ethanol
CID 115332162
4-(1-pentan-3-ylpyrazol-3-yl)butan-2-ol
CID 64777271
1-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol
CID 64785051
3-[(1-pentan-3-ylpyrazol-3-yl)methoxy]pyridine
CID 112558733
3-[(1-butan-2-ylpyrazol-3-yl)methoxy]-2-methylphenol
CID 64783416
6-methyl-3-[(1-pentan-3-ylpyrazol-3-yl)methoxy]pyridin-2-amine
CID 64801745
1-(2-fluorophenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol
CID 64783495
1-(2-propoxyphenyl)ethanol
CID 43503976

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-[(1-pentan-3-ylpyrazol-3-yl)methoxy]phenyl]ethanol?
The IUPAC name of (1R)-1-[2-[(1-pentan-3-ylpyrazol-3-yl)methoxy]phenyl]ethanol (CID 79001134) is (1R)-1-[2-[(1-pentan-3-ylpyrazol-3-yl)methoxy]phenyl]ethanol.
What is the SMILES notation for (1R)-1-[2-[(1-pentan-3-ylpyrazol-3-yl)methoxy]phenyl]ethanol?
The canonical SMILES for (1R)-1-[2-[(1-pentan-3-ylpyrazol-3-yl)methoxy]phenyl]ethanol is CCC(CC)n1ccc(COc2ccccc2[C@@H](C)O)n1.
What is the InChIKey of (1R)-1-[2-[(1-pentan-3-ylpyrazol-3-yl)methoxy]phenyl]ethanol?
The InChIKey is DRJFNEVTWQQBRS-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-4-15(5-2)19-11-10-14(18-19)12-21-17-9-7-6-8-16(17)13(3)20/h6-11,13,15,20H,4-5,12H2,1-3H3/t13-/m1/s1.
What are the key properties of (1R)-1-[2-[(1-pentan-3-ylpyrazol-3-yl)methoxy]phenyl]ethanol?
(1R)-1-[2-[(1-pentan-3-ylpyrazol-3-yl)methoxy]phenyl]ethanol has a molecular weight of 288.39 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-[(1-pentan-3-ylpyrazol-3-yl)methoxy]phenyl]ethanol is sourced from PubChem (CID 79001134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).