2-[4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]ethanol

C14H18N2O2 — CID 103844540

IUPAC2-[4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]ethanol
SMILESCn1cc(CCOc2ccc(CCO)cc2)cn1
InChIInChI=1S/C14H18N2O2/c1-16-11-13(10-15-16)7-9-18-14-4-2-12(3-5-14)6-8-17/h2-5,10-11,17H,6-9H2,1H3
InChIKeyTXYFGJVXPUBEBP-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.58
Rot. Bonds6

About 2-[4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]ethanol

2-[4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]ethanol (PubChem CID 103844540) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-[4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]ethanol.

Molecular Properties

Compound Name2-[4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]ethanol
PubChem CID103844540
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2-[4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]ethanol
SMILESCn1cc(CCOc2ccc(CCO)cc2)cn1
InChIInChI=1S/C14H18N2O2/c1-16-11-13(10-15-16)7-9-18-14-4-2-12(3-5-14)6-8-17/h2-5,10-11,17H,6-9H2,1H3
InChIKeyTXYFGJVXPUBEBP-UHFFFAOYSA-N
XLogP1.58
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methylpyrazol-4-yl)ethanol
CID 17028076
4-[2-(4-methoxyphenyl)ethoxy]-1-methylpyrazole
CID 116794086
4-[2-[4-(3-chloroprop-1-ynyl)phenoxy]ethyl]-1-methylpyrazole
CID 103012849
4-[2-(4-fluoro-3-methylphenoxy)ethyl]-1-methylpyrazole
CID 103792119
[3-fluoro-5-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanol
CID 103003622
2-methyl-4-[2-(1-methylpyrazol-4-yl)ethoxy]benzoic acid
CID 107671163
6-[2-(1-methylpyrazol-4-yl)ethoxy]-2,3-dihydro-1-benzofuran-3-ol
CID 103749474
[2-bromo-5-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanamine
CID 102999884
trifluoro-[2-fluoro-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]boranuide
CID 103003926
[4-[2-(1-methylpyrazol-4-yl)ethoxy]-3-(trifluoromethyl)phenyl]methanol
CID 103003528
[5-methyl-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanol
CID 103003530
[3,5-dibromo-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methanol
CID 107739097

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]ethanol?
The IUPAC name of 2-[4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]ethanol (CID 103844540) is 2-[4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]ethanol.
What is the SMILES notation for 2-[4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]ethanol?
The canonical SMILES for 2-[4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]ethanol is Cn1cc(CCOc2ccc(CCO)cc2)cn1.
What is the InChIKey of 2-[4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]ethanol?
The InChIKey is TXYFGJVXPUBEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-16-11-13(10-15-16)7-9-18-14-4-2-12(3-5-14)6-8-17/h2-5,10-11,17H,6-9H2,1H3.
What are the key properties of 2-[4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]ethanol?
2-[4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]ethanol has a molecular weight of 246.31 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]ethanol is sourced from PubChem (CID 103844540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).