1-(3-cyclopentyl-1-methylpyrazol-5-yl)ethane-1,2-diol

C11H18N2O2 — CID 155559981

IUPAC1-(3-cyclopentyl-1-methylpyrazol-5-yl)ethane-1,2-diol
SMILESCn1nc(C2CCCC2)cc1C(O)CO
InChIInChI=1S/C11H18N2O2/c1-13-10(11(15)7-14)6-9(12-13)8-4-2-3-5-8/h6,8,11,14-15H,2-5,7H2,1H3
InChIKeyXZZAJHMMWZJUMC-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.10
Rot. Bonds3

About 1-(3-cyclopentyl-1-methylpyrazol-5-yl)ethane-1,2-diol

1-(3-cyclopentyl-1-methylpyrazol-5-yl)ethane-1,2-diol (PubChem CID 155559981) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-(3-cyclopentyl-1-methylpyrazol-5-yl)ethane-1,2-diol.

Molecular Properties

Compound Name1-(3-cyclopentyl-1-methylpyrazol-5-yl)ethane-1,2-diol
PubChem CID155559981
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name1-(3-cyclopentyl-1-methylpyrazol-5-yl)ethane-1,2-diol
SMILESCn1nc(C2CCCC2)cc1C(O)CO
InChIInChI=1S/C11H18N2O2/c1-13-10(11(15)7-14)6-9(12-13)8-4-2-3-5-8/h6,8,11,14-15H,2-5,7H2,1H3
InChIKeyXZZAJHMMWZJUMC-UHFFFAOYSA-N
XLogP1.10
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopentyl-1-methylpyrazol-5-yl)ethane-1,2-diol?
The IUPAC name of 1-(3-cyclopentyl-1-methylpyrazol-5-yl)ethane-1,2-diol (CID 155559981) is 1-(3-cyclopentyl-1-methylpyrazol-5-yl)ethane-1,2-diol.
What is the SMILES notation for 1-(3-cyclopentyl-1-methylpyrazol-5-yl)ethane-1,2-diol?
The canonical SMILES for 1-(3-cyclopentyl-1-methylpyrazol-5-yl)ethane-1,2-diol is Cn1nc(C2CCCC2)cc1C(O)CO.
What is the InChIKey of 1-(3-cyclopentyl-1-methylpyrazol-5-yl)ethane-1,2-diol?
The InChIKey is XZZAJHMMWZJUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-13-10(11(15)7-14)6-9(12-13)8-4-2-3-5-8/h6,8,11,14-15H,2-5,7H2,1H3.
What are the key properties of 1-(3-cyclopentyl-1-methylpyrazol-5-yl)ethane-1,2-diol?
1-(3-cyclopentyl-1-methylpyrazol-5-yl)ethane-1,2-diol has a molecular weight of 210.28 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopentyl-1-methylpyrazol-5-yl)ethane-1,2-diol is sourced from PubChem (CID 155559981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).