ethyl 3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)propanoate

C12H18N2O2 — CID 142664629

IUPACethyl 3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)propanoate
SMILESCCOC(=O)CCc1cnn2c1CCCC2
InChIInChI=1S/C12H18N2O2/c1-2-16-12(15)7-6-10-9-13-14-8-4-3-5-11(10)14/h9H,2-8H2,1H3
InChIKeyZJWWEWUIJILARK-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.72
Rot. Bonds4

About ethyl 3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)propanoate

ethyl 3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)propanoate (PubChem CID 142664629) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is ethyl 3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)propanoate
PubChem CID142664629
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Nameethyl 3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)propanoate
SMILESCCOC(=O)CCc1cnn2c1CCCC2
InChIInChI=1S/C12H18N2O2/c1-2-16-12(15)7-6-10-9-13-14-8-4-3-5-11(10)14/h9H,2-8H2,1H3
InChIKeyZJWWEWUIJILARK-UHFFFAOYSA-N
XLogP1.72
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)propanoate?
The IUPAC name of ethyl 3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)propanoate (CID 142664629) is ethyl 3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)propanoate.
What is the SMILES notation for ethyl 3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)propanoate?
The canonical SMILES for ethyl 3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)propanoate is CCOC(=O)CCc1cnn2c1CCCC2.
What is the InChIKey of ethyl 3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)propanoate?
The InChIKey is ZJWWEWUIJILARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-2-16-12(15)7-6-10-9-13-14-8-4-3-5-11(10)14/h9H,2-8H2,1H3.
What are the key properties of ethyl 3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)propanoate?
ethyl 3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)propanoate has a molecular weight of 222.29 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)propanoate is sourced from PubChem (CID 142664629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).