2-(1-cyclopentylpyrazol-3-yl)-1-(1,4-dioxan-2-yl)ethanol

C14H22N2O3 — CID 65350601

IUPAC2-(1-cyclopentylpyrazol-3-yl)-1-(1,4-dioxan-2-yl)ethanol
SMILESOC(Cc1ccn(C2CCCC2)n1)C1COCCO1
InChIInChI=1S/C14H22N2O3/c17-13(14-10-18-7-8-19-14)9-11-5-6-16(15-11)12-3-1-2-4-12/h5-6,12-14,17H,1-4,7-10H2
InChIKeyUUCSZWICBFEATQ-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.32
Rot. Bonds4

About 2-(1-cyclopentylpyrazol-3-yl)-1-(1,4-dioxan-2-yl)ethanol

2-(1-cyclopentylpyrazol-3-yl)-1-(1,4-dioxan-2-yl)ethanol (PubChem CID 65350601) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-(1-cyclopentylpyrazol-3-yl)-1-(1,4-dioxan-2-yl)ethanol.

Molecular Properties

Compound Name2-(1-cyclopentylpyrazol-3-yl)-1-(1,4-dioxan-2-yl)ethanol
PubChem CID65350601
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name2-(1-cyclopentylpyrazol-3-yl)-1-(1,4-dioxan-2-yl)ethanol
SMILESOC(Cc1ccn(C2CCCC2)n1)C1COCCO1
InChIInChI=1S/C14H22N2O3/c17-13(14-10-18-7-8-19-14)9-11-5-6-16(15-11)12-3-1-2-4-12/h5-6,12-14,17H,1-4,7-10H2
InChIKeyUUCSZWICBFEATQ-UHFFFAOYSA-N
XLogP1.32
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopentylpyrazol-3-yl)-1-(1,4-dioxan-2-yl)ethanol?
The IUPAC name of 2-(1-cyclopentylpyrazol-3-yl)-1-(1,4-dioxan-2-yl)ethanol (CID 65350601) is 2-(1-cyclopentylpyrazol-3-yl)-1-(1,4-dioxan-2-yl)ethanol.
What is the SMILES notation for 2-(1-cyclopentylpyrazol-3-yl)-1-(1,4-dioxan-2-yl)ethanol?
The canonical SMILES for 2-(1-cyclopentylpyrazol-3-yl)-1-(1,4-dioxan-2-yl)ethanol is OC(Cc1ccn(C2CCCC2)n1)C1COCCO1.
What is the InChIKey of 2-(1-cyclopentylpyrazol-3-yl)-1-(1,4-dioxan-2-yl)ethanol?
The InChIKey is UUCSZWICBFEATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c17-13(14-10-18-7-8-19-14)9-11-5-6-16(15-11)12-3-1-2-4-12/h5-6,12-14,17H,1-4,7-10H2.
What are the key properties of 2-(1-cyclopentylpyrazol-3-yl)-1-(1,4-dioxan-2-yl)ethanol?
2-(1-cyclopentylpyrazol-3-yl)-1-(1,4-dioxan-2-yl)ethanol has a molecular weight of 266.34 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopentylpyrazol-3-yl)-1-(1,4-dioxan-2-yl)ethanol is sourced from PubChem (CID 65350601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).