2-(1-cyclohexylpyrazol-3-yl)-1-(2-methyloxolan-3-yl)ethanol

C16H26N2O2 — CID 115804990

IUPAC2-(1-cyclohexylpyrazol-3-yl)-1-(2-methyloxolan-3-yl)ethanol
SMILESCC1OCCC1C(O)Cc1ccn(C2CCCCC2)n1
InChIInChI=1S/C16H26N2O2/c1-12-15(8-10-20-12)16(19)11-13-7-9-18(17-13)14-5-3-2-4-6-14/h7,9,12,14-16,19H,2-6,8,10-11H2,1H3
InChIKeyZETHFVGUOQOIJM-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.72
Rot. Bonds4

About 2-(1-cyclohexylpyrazol-3-yl)-1-(2-methyloxolan-3-yl)ethanol

2-(1-cyclohexylpyrazol-3-yl)-1-(2-methyloxolan-3-yl)ethanol (PubChem CID 115804990) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-(1-cyclohexylpyrazol-3-yl)-1-(2-methyloxolan-3-yl)ethanol.

Molecular Properties

Compound Name2-(1-cyclohexylpyrazol-3-yl)-1-(2-methyloxolan-3-yl)ethanol
PubChem CID115804990
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-(1-cyclohexylpyrazol-3-yl)-1-(2-methyloxolan-3-yl)ethanol
SMILESCC1OCCC1C(O)Cc1ccn(C2CCCCC2)n1
InChIInChI=1S/C16H26N2O2/c1-12-15(8-10-20-12)16(19)11-13-7-9-18(17-13)14-5-3-2-4-6-14/h7,9,12,14-16,19H,2-6,8,10-11H2,1H3
InChIKeyZETHFVGUOQOIJM-UHFFFAOYSA-N
XLogP2.72
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-cyclohexylpyrazol-3-yl)-1-(3-methyloxolan-2-yl)ethanamine
CID 104987899
2-(1-cyclopentylpyrazol-3-yl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanol
CID 64785484
2-[(1-cyclohexylpyrazol-3-yl)methyl]-3-methylbutan-1-amine
CID 64778280
2-(1-cyclopentylpyrazol-3-yl)-1-(4-ethylcyclohexyl)ethanol
CID 65393519
1-(1-cyclohexylpyrazol-3-yl)-3-methoxybutan-2-ol
CID 79616778
3-(aminomethyl)-1-(1-cyclohexylpyrazol-3-yl)-4-methylpentan-2-ol
CID 107443067
1-(1-cyclopentylpyrazol-3-yl)-4-methylpentane-2,3-diol
CID 103456685
1-(1-cyclohexylpyrazol-3-yl)-3-methylsulfonylpropan-2-ol
CID 112692637
2-(1-cyclohexylpyrazol-3-yl)-1-(1-methylimidazol-4-yl)ethanol
CID 107978417
4-(1-cyclohexylpyrazol-3-yl)-3-methylbutan-2-one
CID 64784583
3-(2-chloropropyl)-1-cyclopentylpyrazole
CID 130480485
1-(1-cyclohexylpyrazol-3-yl)-3-propan-2-yloxypropan-2-ol
CID 105102471

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexylpyrazol-3-yl)-1-(2-methyloxolan-3-yl)ethanol?
The IUPAC name of 2-(1-cyclohexylpyrazol-3-yl)-1-(2-methyloxolan-3-yl)ethanol (CID 115804990) is 2-(1-cyclohexylpyrazol-3-yl)-1-(2-methyloxolan-3-yl)ethanol.
What is the SMILES notation for 2-(1-cyclohexylpyrazol-3-yl)-1-(2-methyloxolan-3-yl)ethanol?
The canonical SMILES for 2-(1-cyclohexylpyrazol-3-yl)-1-(2-methyloxolan-3-yl)ethanol is CC1OCCC1C(O)Cc1ccn(C2CCCCC2)n1.
What is the InChIKey of 2-(1-cyclohexylpyrazol-3-yl)-1-(2-methyloxolan-3-yl)ethanol?
The InChIKey is ZETHFVGUOQOIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-12-15(8-10-20-12)16(19)11-13-7-9-18(17-13)14-5-3-2-4-6-14/h7,9,12,14-16,19H,2-6,8,10-11H2,1H3.
What are the key properties of 2-(1-cyclohexylpyrazol-3-yl)-1-(2-methyloxolan-3-yl)ethanol?
2-(1-cyclohexylpyrazol-3-yl)-1-(2-methyloxolan-3-yl)ethanol has a molecular weight of 278.40 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexylpyrazol-3-yl)-1-(2-methyloxolan-3-yl)ethanol is sourced from PubChem (CID 115804990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).