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

C18H30N2O — CID 115805003

IUPAC2-(1-cyclohexylpyrazol-3-yl)-1-(1-ethylcyclopentyl)ethanol
SMILESCCC1(C(O)Cc2ccn(C3CCCCC3)n2)CCCC1
InChIInChI=1S/C18H30N2O/c1-2-18(11-6-7-12-18)17(21)14-15-10-13-20(19-15)16-8-4-3-5-9-16/h10,13,16-17,21H,2-9,11-12,14H2,1H3
InChIKeyRRKYTQHQZNXQQA-UHFFFAOYSA-N
MW290.45 g/mol
LogP4.26
Rot. Bonds5

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

2-(1-cyclohexylpyrazol-3-yl)-1-(1-ethylcyclopentyl)ethanol (PubChem CID 115805003) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-(1-cyclohexylpyrazol-3-yl)-1-(1-ethylcyclopentyl)ethanol.

Molecular Properties

Compound Name2-(1-cyclohexylpyrazol-3-yl)-1-(1-ethylcyclopentyl)ethanol
PubChem CID115805003
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name2-(1-cyclohexylpyrazol-3-yl)-1-(1-ethylcyclopentyl)ethanol
SMILESCCC1(C(O)Cc2ccn(C3CCCCC3)n2)CCCC1
InChIInChI=1S/C18H30N2O/c1-2-18(11-6-7-12-18)17(21)14-15-10-13-20(19-15)16-8-4-3-5-9-16/h10,13,16-17,21H,2-9,11-12,14H2,1H3
InChIKeyRRKYTQHQZNXQQA-UHFFFAOYSA-N
XLogP4.26
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-cyclohexylpyrazol-3-yl)-3-methoxybutan-2-ol
CID 79616778
1-(1-cyclopentylpyrazol-3-yl)butan-2-amine
CID 64785877
3-(2-chloropropyl)-1-cyclopentylpyrazole
CID 130480485
1-cyclohexyl-3-ethylpyrazole
CID 66014335
3-(1-cyclopentylpyrazol-3-yl)-1,1-diethoxypropan-2-ol
CID 79495174
1-(1-cyclohexylpyrazol-3-yl)-3-propoxypropan-2-ol
CID 64784919
[2-(1-cyclohexylpyrazol-3-yl)-1-(1-methylcyclopropyl)ethyl]hydrazine
CID 105253582
1-(1-cyclopentylpyrazol-3-yl)-4-methylpentane-2,3-diol
CID 103456685
1-(1-cyclohexylpyrazol-3-yl)-3-methylsulfonylpropan-2-ol
CID 112692637
1-(1-cyclopentylpyrazol-3-yl)-3-methoxyhexan-2-ol
CID 116711674
4-(1-cyclohexylpyrazol-3-yl)-3-methylbutan-2-one
CID 64784583
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-(1-ethylcyclopentyl)ethanol?
The IUPAC name of 2-(1-cyclohexylpyrazol-3-yl)-1-(1-ethylcyclopentyl)ethanol (CID 115805003) is 2-(1-cyclohexylpyrazol-3-yl)-1-(1-ethylcyclopentyl)ethanol.
What is the SMILES notation for 2-(1-cyclohexylpyrazol-3-yl)-1-(1-ethylcyclopentyl)ethanol?
The canonical SMILES for 2-(1-cyclohexylpyrazol-3-yl)-1-(1-ethylcyclopentyl)ethanol is CCC1(C(O)Cc2ccn(C3CCCCC3)n2)CCCC1.
What is the InChIKey of 2-(1-cyclohexylpyrazol-3-yl)-1-(1-ethylcyclopentyl)ethanol?
The InChIKey is RRKYTQHQZNXQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-2-18(11-6-7-12-18)17(21)14-15-10-13-20(19-15)16-8-4-3-5-9-16/h10,13,16-17,21H,2-9,11-12,14H2,1H3.
What are the key properties of 2-(1-cyclohexylpyrazol-3-yl)-1-(1-ethylcyclopentyl)ethanol?
2-(1-cyclohexylpyrazol-3-yl)-1-(1-ethylcyclopentyl)ethanol has a molecular weight of 290.45 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexylpyrazol-3-yl)-1-(1-ethylcyclopentyl)ethanol is sourced from PubChem (CID 115805003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).