2-cyclobutyl-1-(1,5-dimethylpyrazol-4-yl)ethanol

C11H18N2O — CID 105100749

IUPAC2-cyclobutyl-1-(1,5-dimethylpyrazol-4-yl)ethanol
SMILESCc1c(C(O)CC2CCC2)cnn1C
InChIInChI=1S/C11H18N2O/c1-8-10(7-12-13(8)2)11(14)6-9-4-3-5-9/h7,9,11,14H,3-6H2,1-2H3
InChIKeyRXWDMUTUPVTJBN-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.95
Rot. Bonds3

About 2-cyclobutyl-1-(1,5-dimethylpyrazol-4-yl)ethanol

2-cyclobutyl-1-(1,5-dimethylpyrazol-4-yl)ethanol (PubChem CID 105100749) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-cyclobutyl-1-(1,5-dimethylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name2-cyclobutyl-1-(1,5-dimethylpyrazol-4-yl)ethanol
PubChem CID105100749
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2-cyclobutyl-1-(1,5-dimethylpyrazol-4-yl)ethanol
SMILESCc1c(C(O)CC2CCC2)cnn1C
InChIInChI=1S/C11H18N2O/c1-8-10(7-12-13(8)2)11(14)6-9-4-3-5-9/h7,9,11,14H,3-6H2,1-2H3
InChIKeyRXWDMUTUPVTJBN-UHFFFAOYSA-N
XLogP1.95
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopropyl-1-(1,5-dimethylpyrazol-4-yl)propan-1-ol
CID 105105760
N-[2-cyclobutyl-1-(1,5-dimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 105151550
(1S)-2-amino-1-(1,5-dimethylpyrazol-4-yl)ethanol
CID 96635093
2-(cyclopropylamino)-1-(1,5-dimethylpyrazol-4-yl)ethanol
CID 79584520
2-cyclobutyl-1-(1,3-dimethylpyrazol-4-yl)ethanol
CID 102804709
1-(1,5-dimethylpyrazol-4-yl)butan-1-ol
CID 79584948
2-cyclobutyl-1-(4-methyl-3-pyridinyl)ethanol
CID 114877786
(1S)-3-amino-1-(1,5-dimethylpyrazol-4-yl)propan-1-ol
CID 96631923
2-cyclobutyl-1-(4-methylpyrimidin-5-yl)ethanol
CID 131000904
[3-cyclopropyl-1-(1,5-dimethylpyrazol-4-yl)propyl]hydrazine
CID 105315128
1-(4-chloro-1-methylpyrazol-5-yl)-2-cycloheptylethanol
CID 115836779
2-cyclobutyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanol
CID 103128870

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-1-(1,5-dimethylpyrazol-4-yl)ethanol?
The IUPAC name of 2-cyclobutyl-1-(1,5-dimethylpyrazol-4-yl)ethanol (CID 105100749) is 2-cyclobutyl-1-(1,5-dimethylpyrazol-4-yl)ethanol.
What is the SMILES notation for 2-cyclobutyl-1-(1,5-dimethylpyrazol-4-yl)ethanol?
The canonical SMILES for 2-cyclobutyl-1-(1,5-dimethylpyrazol-4-yl)ethanol is Cc1c(C(O)CC2CCC2)cnn1C.
What is the InChIKey of 2-cyclobutyl-1-(1,5-dimethylpyrazol-4-yl)ethanol?
The InChIKey is RXWDMUTUPVTJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-8-10(7-12-13(8)2)11(14)6-9-4-3-5-9/h7,9,11,14H,3-6H2,1-2H3.
What are the key properties of 2-cyclobutyl-1-(1,5-dimethylpyrazol-4-yl)ethanol?
2-cyclobutyl-1-(1,5-dimethylpyrazol-4-yl)ethanol has a molecular weight of 194.28 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-1-(1,5-dimethylpyrazol-4-yl)ethanol is sourced from PubChem (CID 105100749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).