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

C12H20N2O — CID 115828785

IUPAC1-(1-methylcyclopentyl)-2-(1-methylpyrazol-3-yl)ethanol
SMILESCn1ccc(CC(O)C2(C)CCCC2)n1
InChIInChI=1S/C12H20N2O/c1-12(6-3-4-7-12)11(15)9-10-5-8-14(2)13-10/h5,8,11,15H,3-4,6-7,9H2,1-2H3
InChIKeyPTOABMXDZJFBBR-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.90
Rot. Bonds3

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

1-(1-methylcyclopentyl)-2-(1-methylpyrazol-3-yl)ethanol (PubChem CID 115828785) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-(1-methylcyclopentyl)-2-(1-methylpyrazol-3-yl)ethanol.

Molecular Properties

Compound Name1-(1-methylcyclopentyl)-2-(1-methylpyrazol-3-yl)ethanol
PubChem CID115828785
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name1-(1-methylcyclopentyl)-2-(1-methylpyrazol-3-yl)ethanol
SMILESCn1ccc(CC(O)C2(C)CCCC2)n1
InChIInChI=1S/C12H20N2O/c1-12(6-3-4-7-12)11(15)9-10-5-8-14(2)13-10/h5,8,11,15H,3-4,6-7,9H2,1-2H3
InChIKeyPTOABMXDZJFBBR-UHFFFAOYSA-N
XLogP1.90
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methoxycyclopentyl)-2-(1-methylpyrazol-3-yl)ethanol
CID 104610403
2-(1-methylpyrazol-3-yl)-1-(2-methylthiolan-2-yl)ethanol
CID 105121142
1-(1-methylcyclopentyl)-2-(1-methylimidazol-2-yl)ethanol
CID 115820564
1-(1-methylcyclohexyl)-2-(1-methylpyrazol-4-yl)ethanol
CID 106830819
1-(2,2-dimethylcyclohexyl)-2-(1-methylpyrazol-3-yl)ethanamine
CID 107190490
[1-(2-methyloxan-2-yl)-2-(1-methylpyrazol-3-yl)ethyl]hydrazine
CID 105256099
1-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-ol
CID 82870094
4-methyl-5-(1-methylpyrazol-3-yl)pentan-2-ol
CID 82870755
3-methyl-1-(1-methylpyrazol-3-yl)-3-pyrrolidin-1-ylbutan-2-ol
CID 82870128
1-[1-hydroxy-2-(1-propan-2-ylpyrazol-3-yl)ethyl]cycloheptan-1-ol
CID 103452043
[1-(2,2-dimethylcyclohexyl)-2-(1-methylpyrazol-3-yl)ethyl]hydrazine
CID 107194571
3-(3-chloro-2-methylbutyl)-1-methylpyrazole
CID 82876102

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylcyclopentyl)-2-(1-methylpyrazol-3-yl)ethanol?
The IUPAC name of 1-(1-methylcyclopentyl)-2-(1-methylpyrazol-3-yl)ethanol (CID 115828785) is 1-(1-methylcyclopentyl)-2-(1-methylpyrazol-3-yl)ethanol.
What is the SMILES notation for 1-(1-methylcyclopentyl)-2-(1-methylpyrazol-3-yl)ethanol?
The canonical SMILES for 1-(1-methylcyclopentyl)-2-(1-methylpyrazol-3-yl)ethanol is Cn1ccc(CC(O)C2(C)CCCC2)n1.
What is the InChIKey of 1-(1-methylcyclopentyl)-2-(1-methylpyrazol-3-yl)ethanol?
The InChIKey is PTOABMXDZJFBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-12(6-3-4-7-12)11(15)9-10-5-8-14(2)13-10/h5,8,11,15H,3-4,6-7,9H2,1-2H3.
What are the key properties of 1-(1-methylcyclopentyl)-2-(1-methylpyrazol-3-yl)ethanol?
1-(1-methylcyclopentyl)-2-(1-methylpyrazol-3-yl)ethanol has a molecular weight of 208.30 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylcyclopentyl)-2-(1-methylpyrazol-3-yl)ethanol is sourced from PubChem (CID 115828785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).