1-(1-methoxycyclopentyl)-2-(1-methylpyrazol-3-yl)ethanol

C12H20N2O2 — CID 104610403

IUPAC1-(1-methoxycyclopentyl)-2-(1-methylpyrazol-3-yl)ethanol
SMILESCOC1(C(O)Cc2ccn(C)n2)CCCC1
InChIInChI=1S/C12H20N2O2/c1-14-8-5-10(13-14)9-11(15)12(16-2)6-3-4-7-12/h5,8,11,15H,3-4,6-7,9H2,1-2H3
InChIKeyALYZPYNGYFRWJA-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.28
Rot. Bonds4

About 1-(1-methoxycyclopentyl)-2-(1-methylpyrazol-3-yl)ethanol

1-(1-methoxycyclopentyl)-2-(1-methylpyrazol-3-yl)ethanol (PubChem CID 104610403) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-(1-methoxycyclopentyl)-2-(1-methylpyrazol-3-yl)ethanol.

Molecular Properties

Compound Name1-(1-methoxycyclopentyl)-2-(1-methylpyrazol-3-yl)ethanol
PubChem CID104610403
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name1-(1-methoxycyclopentyl)-2-(1-methylpyrazol-3-yl)ethanol
SMILESCOC1(C(O)Cc2ccn(C)n2)CCCC1
InChIInChI=1S/C12H20N2O2/c1-14-8-5-10(13-14)9-11(15)12(16-2)6-3-4-7-12/h5,8,11,15H,3-4,6-7,9H2,1-2H3
InChIKeyALYZPYNGYFRWJA-UHFFFAOYSA-N
XLogP1.28
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-methylcyclopentyl)-2-(1-methylpyrazol-3-yl)ethanol
CID 115828785
2-(1-butan-2-ylpyrazol-3-yl)-1-(1-methoxycyclobutyl)ethanol
CID 116710449
N-ethyl-1-(1-methoxycyclohexyl)-2-(1-methylpyrazol-3-yl)ethanamine
CID 116763128
1-(1-methoxycyclopentyl)-2-pyridin-2-ylethanol
CID 104610358
2-(1-methylpyrazol-3-yl)-1-(2-methylthiolan-2-yl)ethanol
CID 105121142
1-(1-ethoxycycloheptyl)-2-(1-methylpyrazol-3-yl)ethanamine
CID 116770578
1-(1-methoxy-3-methylcyclohexyl)-N-methyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 116767770
2-(5-bromo-2-pyridinyl)-1-(1-methoxycyclopentyl)ethanol
CID 104800613
1-(1-methoxycyclopentyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 104610783
1-(1-methoxycyclopentyl)-2-(1-propylimidazol-2-yl)ethanol
CID 104610436
2-(4-fluorophenyl)-1-(1-methoxycyclopentyl)ethanol
CID 104610295
1-[1-hydroxy-2-(1-propan-2-ylpyrazol-3-yl)ethyl]cycloheptan-1-ol
CID 103452043

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxycyclopentyl)-2-(1-methylpyrazol-3-yl)ethanol?
The IUPAC name of 1-(1-methoxycyclopentyl)-2-(1-methylpyrazol-3-yl)ethanol (CID 104610403) is 1-(1-methoxycyclopentyl)-2-(1-methylpyrazol-3-yl)ethanol.
What is the SMILES notation for 1-(1-methoxycyclopentyl)-2-(1-methylpyrazol-3-yl)ethanol?
The canonical SMILES for 1-(1-methoxycyclopentyl)-2-(1-methylpyrazol-3-yl)ethanol is COC1(C(O)Cc2ccn(C)n2)CCCC1.
What is the InChIKey of 1-(1-methoxycyclopentyl)-2-(1-methylpyrazol-3-yl)ethanol?
The InChIKey is ALYZPYNGYFRWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-14-8-5-10(13-14)9-11(15)12(16-2)6-3-4-7-12/h5,8,11,15H,3-4,6-7,9H2,1-2H3.
What are the key properties of 1-(1-methoxycyclopentyl)-2-(1-methylpyrazol-3-yl)ethanol?
1-(1-methoxycyclopentyl)-2-(1-methylpyrazol-3-yl)ethanol has a molecular weight of 224.30 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxycyclopentyl)-2-(1-methylpyrazol-3-yl)ethanol is sourced from PubChem (CID 104610403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).