(2S,3S)-N-but-2-ynyl-2-(1-ethylpyrazol-4-yl)oxolane-3-carboxamide

C14H19N3O2 — CID 129005954

IUPAC(2S,3S)-N-but-2-ynyl-2-(1-ethylpyrazol-4-yl)oxolane-3-carboxamide
SMILESCC#CCNC(=O)[C@H]1CCO[C@@H]1c1cnn(CC)c1
InChIInChI=1S/C14H19N3O2/c1-3-5-7-15-14(18)12-6-8-19-13(12)11-9-16-17(4-2)10-11/h9-10,12-13H,4,6-8H2,1-2H3,(H,15,18)/t12-,13+/m0/s1
InChIKeyTWBVPUNIRJGIIT-QWHCGFSZSA-N
MW261.32 g/mol
LogP1.12
Rot. Bonds4

About (2S,3S)-N-but-2-ynyl-2-(1-ethylpyrazol-4-yl)oxolane-3-carboxamide

(2S,3S)-N-but-2-ynyl-2-(1-ethylpyrazol-4-yl)oxolane-3-carboxamide (PubChem CID 129005954) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is (2S,3S)-N-but-2-ynyl-2-(1-ethylpyrazol-4-yl)oxolane-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-N-but-2-ynyl-2-(1-ethylpyrazol-4-yl)oxolane-3-carboxamide
PubChem CID129005954
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name(2S,3S)-N-but-2-ynyl-2-(1-ethylpyrazol-4-yl)oxolane-3-carboxamide
SMILESCC#CCNC(=O)[C@H]1CCO[C@@H]1c1cnn(CC)c1
InChIInChI=1S/C14H19N3O2/c1-3-5-7-15-14(18)12-6-8-19-13(12)11-9-16-17(4-2)10-11/h9-10,12-13H,4,6-8H2,1-2H3,(H,15,18)/t12-,13+/m0/s1
InChIKeyTWBVPUNIRJGIIT-QWHCGFSZSA-N
XLogP1.12
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (2S,3S)-N-but-2-ynyl-2-(1-ethylpyrazol-4-yl)oxolane-3-carboxamide 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 (2S,3S)-N-but-2-ynyl-2-(1-ethylpyrazol-4-yl)oxolane-3-carboxamide?
The IUPAC name of (2S,3S)-N-but-2-ynyl-2-(1-ethylpyrazol-4-yl)oxolane-3-carboxamide (CID 129005954) is (2S,3S)-N-but-2-ynyl-2-(1-ethylpyrazol-4-yl)oxolane-3-carboxamide.
What is the SMILES notation for (2S,3S)-N-but-2-ynyl-2-(1-ethylpyrazol-4-yl)oxolane-3-carboxamide?
The canonical SMILES for (2S,3S)-N-but-2-ynyl-2-(1-ethylpyrazol-4-yl)oxolane-3-carboxamide is CC#CCNC(=O)[C@H]1CCO[C@@H]1c1cnn(CC)c1.
What is the InChIKey of (2S,3S)-N-but-2-ynyl-2-(1-ethylpyrazol-4-yl)oxolane-3-carboxamide?
The InChIKey is TWBVPUNIRJGIIT-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-3-5-7-15-14(18)12-6-8-19-13(12)11-9-16-17(4-2)10-11/h9-10,12-13H,4,6-8H2,1-2H3,(H,15,18)/t12-,13+/m0/s1.
What are the key properties of (2S,3S)-N-but-2-ynyl-2-(1-ethylpyrazol-4-yl)oxolane-3-carboxamide?
(2S,3S)-N-but-2-ynyl-2-(1-ethylpyrazol-4-yl)oxolane-3-carboxamide has a molecular weight of 261.32 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-but-2-ynyl-2-(1-ethylpyrazol-4-yl)oxolane-3-carboxamide is sourced from PubChem (CID 129005954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).