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

C17H24N2O2 — CID 107713285

IUPAC2-[2-[(1-pentan-3-ylpyrazol-3-yl)methoxy]phenyl]ethanol
SMILESCCC(CC)n1ccc(COc2ccccc2CCO)n1
InChIInChI=1S/C17H24N2O2/c1-3-16(4-2)19-11-9-15(18-19)13-21-17-8-6-5-7-14(17)10-12-20/h5-9,11,16,20H,3-4,10,12-13H2,1-2H3
InChIKeyWILQNWVRRRGDTP-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.36
Rot. Bonds8

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

2-[2-[(1-pentan-3-ylpyrazol-3-yl)methoxy]phenyl]ethanol (PubChem CID 107713285) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-[2-[(1-pentan-3-ylpyrazol-3-yl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name2-[2-[(1-pentan-3-ylpyrazol-3-yl)methoxy]phenyl]ethanol
PubChem CID107713285
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name2-[2-[(1-pentan-3-ylpyrazol-3-yl)methoxy]phenyl]ethanol
SMILESCCC(CC)n1ccc(COc2ccccc2CCO)n1
InChIInChI=1S/C17H24N2O2/c1-3-16(4-2)19-11-9-15(18-19)13-21-17-8-6-5-7-14(17)10-12-20/h5-9,11,16,20H,3-4,10,12-13H2,1-2H3
InChIKeyWILQNWVRRRGDTP-UHFFFAOYSA-N
XLogP3.36
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-[2-[(1-pentan-3-ylpyrazol-3-yl)methoxy]phenyl]ethanol
CID 79001134
2-[2-[(1,3-diethylpyrazol-5-yl)methoxy]phenyl]ethanol
CID 107713078
3-[[2-(chloromethyl)phenoxy]methyl]-1-propan-2-ylpyrazole
CID 64772203
3-(1-pentan-3-ylpyrazol-3-yl)propan-1-ol
CID 64778701
2-[2-[(1-methyltriazol-4-yl)methoxy]phenyl]ethanol
CID 107713246
4-(1-pentan-3-ylpyrazol-3-yl)butan-2-ol
CID 64777271
3-[(1-pentan-3-ylpyrazol-3-yl)methoxy]pyridine
CID 112558733
6-methyl-3-[(1-pentan-3-ylpyrazol-3-yl)methoxy]pyridin-2-amine
CID 64801745
2-(2-pentoxyphenyl)ethanol
CID 91657515
2-[2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]ethanol
CID 107258145
3-[(1-pentan-3-ylpyrazol-3-yl)methoxy]aniline
CID 64799429
1-(2-chlorophenyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-one
CID 64783360

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1-pentan-3-ylpyrazol-3-yl)methoxy]phenyl]ethanol?
The IUPAC name of 2-[2-[(1-pentan-3-ylpyrazol-3-yl)methoxy]phenyl]ethanol (CID 107713285) is 2-[2-[(1-pentan-3-ylpyrazol-3-yl)methoxy]phenyl]ethanol.
What is the SMILES notation for 2-[2-[(1-pentan-3-ylpyrazol-3-yl)methoxy]phenyl]ethanol?
The canonical SMILES for 2-[2-[(1-pentan-3-ylpyrazol-3-yl)methoxy]phenyl]ethanol is CCC(CC)n1ccc(COc2ccccc2CCO)n1.
What is the InChIKey of 2-[2-[(1-pentan-3-ylpyrazol-3-yl)methoxy]phenyl]ethanol?
The InChIKey is WILQNWVRRRGDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-3-16(4-2)19-11-9-15(18-19)13-21-17-8-6-5-7-14(17)10-12-20/h5-9,11,16,20H,3-4,10,12-13H2,1-2H3.
What are the key properties of 2-[2-[(1-pentan-3-ylpyrazol-3-yl)methoxy]phenyl]ethanol?
2-[2-[(1-pentan-3-ylpyrazol-3-yl)methoxy]phenyl]ethanol has a molecular weight of 288.39 g/mol, XLogP of 3.36, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1-pentan-3-ylpyrazol-3-yl)methoxy]phenyl]ethanol is sourced from PubChem (CID 107713285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).