3-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]oxolan-2-one

C14H21N3O3 — CID 51104567

IUPAC3-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]oxolan-2-one
SMILESO=C1OCCC1N1CCC(c2ccnn2CCO)CC1
InChIInChI=1S/C14H21N3O3/c18-9-8-17-12(1-5-15-17)11-2-6-16(7-3-11)13-4-10-20-14(13)19/h1,5,11,13,18H,2-4,6-10H2
InChIKeyGXBCDJHYRYQBMN-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.37
Rot. Bonds4

About 3-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]oxolan-2-one

3-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]oxolan-2-one (PubChem CID 51104567) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]oxolan-2-one.

Molecular Properties

Compound Name3-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]oxolan-2-one
PubChem CID51104567
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name3-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]oxolan-2-one
SMILESO=C1OCCC1N1CCC(c2ccnn2CCO)CC1
InChIInChI=1S/C14H21N3O3/c18-9-8-17-12(1-5-15-17)11-2-6-16(7-3-11)13-4-10-20-14(13)19/h1,5,11,13,18H,2-4,6-10H2
InChIKeyGXBCDJHYRYQBMN-UHFFFAOYSA-N
XLogP0.37
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]oxolan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]oxolan-2-one?
The IUPAC name of 3-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]oxolan-2-one (CID 51104567) is 3-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]oxolan-2-one.
What is the SMILES notation for 3-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]oxolan-2-one?
The canonical SMILES for 3-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]oxolan-2-one is O=C1OCCC1N1CCC(c2ccnn2CCO)CC1.
What is the InChIKey of 3-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]oxolan-2-one?
The InChIKey is GXBCDJHYRYQBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c18-9-8-17-12(1-5-15-17)11-2-6-16(7-3-11)13-4-10-20-14(13)19/h1,5,11,13,18H,2-4,6-10H2.
What are the key properties of 3-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]oxolan-2-one?
3-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]oxolan-2-one has a molecular weight of 279.34 g/mol, XLogP of 0.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]oxolan-2-one is sourced from PubChem (CID 51104567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).