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

C11H17N3O2 — CID 135732757

IUPACethyl 3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)propanoate
SMILESCCOC(=O)CCc1cnn2c1NCCC2
InChIInChI=1S/C11H17N3O2/c1-2-16-10(15)5-4-9-8-13-14-7-3-6-12-11(9)14/h8,12H,2-7H2,1H3
InChIKeyXEJGZSYWTBLCHA-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.19
Rot. Bonds4

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

ethyl 3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)propanoate (PubChem CID 135732757) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is ethyl 3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)propanoate
PubChem CID135732757
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Nameethyl 3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)propanoate
SMILESCCOC(=O)CCc1cnn2c1NCCC2
InChIInChI=1S/C11H17N3O2/c1-2-16-10(15)5-4-9-8-13-14-7-3-6-12-11(9)14/h8,12H,2-7H2,1H3
InChIKeyXEJGZSYWTBLCHA-UHFFFAOYSA-N
XLogP1.19
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)propanoate?
The IUPAC name of ethyl 3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)propanoate (CID 135732757) is ethyl 3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)propanoate.
What is the SMILES notation for ethyl 3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)propanoate?
The canonical SMILES for ethyl 3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)propanoate is CCOC(=O)CCc1cnn2c1NCCC2.
What is the InChIKey of ethyl 3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)propanoate?
The InChIKey is XEJGZSYWTBLCHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-2-16-10(15)5-4-9-8-13-14-7-3-6-12-11(9)14/h8,12H,2-7H2,1H3.
What are the key properties of ethyl 3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)propanoate?
ethyl 3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)propanoate has a molecular weight of 223.28 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)propanoate is sourced from PubChem (CID 135732757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).