ethyl prop-2-ynoate;ethyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate

C15H20N2O4 — CID 158291247

IUPACethyl prop-2-ynoate;ethyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate
SMILESC#CC(=O)OCC.CCOC(=O)c1cc2n(n1)CCCC2
InChIInChI=1S/C10H14N2O2.C5H6O2/c1-2-14-10(13)9-7-8-5-3-4-6-12(8)11-9;1-3-5(6)7-4-2/h7H,2-6H2,1H3;1H,4H2,2H3
InChIKeyGLJLVNUMKDCVDR-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.58
Rot. Bonds3

About ethyl prop-2-ynoate;ethyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate

ethyl prop-2-ynoate;ethyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate (PubChem CID 158291247) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is ethyl prop-2-ynoate;ethyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl prop-2-ynoate;ethyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate
PubChem CID158291247
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Nameethyl prop-2-ynoate;ethyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate
SMILESC#CC(=O)OCC.CCOC(=O)c1cc2n(n1)CCCC2
InChIInChI=1S/C10H14N2O2.C5H6O2/c1-2-14-10(13)9-7-8-5-3-4-6-12(8)11-9;1-3-5(6)7-4-2/h7H,2-6H2,1H3;1H,4H2,2H3
InChIKeyGLJLVNUMKDCVDR-UHFFFAOYSA-N
XLogP1.58
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_5', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze ethyl prop-2-ynoate;ethyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate 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 ethyl prop-2-ynoate;ethyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate?
The IUPAC name of ethyl prop-2-ynoate;ethyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate (CID 158291247) is ethyl prop-2-ynoate;ethyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate.
What is the SMILES notation for ethyl prop-2-ynoate;ethyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate?
The canonical SMILES for ethyl prop-2-ynoate;ethyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate is C#CC(=O)OCC.CCOC(=O)c1cc2n(n1)CCCC2.
What is the InChIKey of ethyl prop-2-ynoate;ethyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate?
The InChIKey is GLJLVNUMKDCVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2.C5H6O2/c1-2-14-10(13)9-7-8-5-3-4-6-12(8)11-9;1-3-5(6)7-4-2/h7H,2-6H2,1H3;1H,4H2,2H3.
What are the key properties of ethyl prop-2-ynoate;ethyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate?
ethyl prop-2-ynoate;ethyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate has a molecular weight of 292.33 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl prop-2-ynoate;ethyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate is sourced from PubChem (CID 158291247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).