2-ethoxy-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]acetamide

C11H17N3O3 — CID 97428020

IUPAC2-ethoxy-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]acetamide
SMILESCCOCC(=O)Nc1cnn([C@H]2CCOC2)c1
InChIInChI=1S/C11H17N3O3/c1-2-16-8-11(15)13-9-5-12-14(6-9)10-3-4-17-7-10/h5-6,10H,2-4,7-8H2,1H3,(H,13,15)/t10-/m0/s1
InChIKeyKPNCEZVDUNXCID-JTQLQIEISA-N
MW239.27 g/mol
LogP0.82
Rot. Bonds5

About 2-ethoxy-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]acetamide

2-ethoxy-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]acetamide (PubChem CID 97428020) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-ethoxy-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2-ethoxy-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]acetamide
PubChem CID97428020
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name2-ethoxy-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]acetamide
SMILESCCOCC(=O)Nc1cnn([C@H]2CCOC2)c1
InChIInChI=1S/C11H17N3O3/c1-2-16-8-11(15)13-9-5-12-14(6-9)10-3-4-17-7-10/h5-6,10H,2-4,7-8H2,1H3,(H,13,15)/t10-/m0/s1
InChIKeyKPNCEZVDUNXCID-JTQLQIEISA-N
XLogP0.82
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-ethoxy-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]acetamide 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 2-ethoxy-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]acetamide?
The IUPAC name of 2-ethoxy-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]acetamide (CID 97428020) is 2-ethoxy-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]acetamide.
What is the SMILES notation for 2-ethoxy-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]acetamide?
The canonical SMILES for 2-ethoxy-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]acetamide is CCOCC(=O)Nc1cnn([C@H]2CCOC2)c1.
What is the InChIKey of 2-ethoxy-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]acetamide?
The InChIKey is KPNCEZVDUNXCID-JTQLQIEISA-N. The full InChI is InChI=1S/C11H17N3O3/c1-2-16-8-11(15)13-9-5-12-14(6-9)10-3-4-17-7-10/h5-6,10H,2-4,7-8H2,1H3,(H,13,15)/t10-/m0/s1.
What are the key properties of 2-ethoxy-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]acetamide?
2-ethoxy-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]acetamide has a molecular weight of 239.27 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]acetamide is sourced from PubChem (CID 97428020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).