3-(1-ethylpyrazolo[5,4-b]pyridin-5-yl)propyl acetate

C13H17N3O2 — CID 44577865

IUPAC3-(1-ethylpyrazolo[5,4-b]pyridin-5-yl)propyl acetate
SMILESCCn1ncc2cc(CCCOC(C)=O)cnc21
InChIInChI=1S/C13H17N3O2/c1-3-16-13-12(9-15-16)7-11(8-14-13)5-4-6-18-10(2)17/h7-9H,3-6H2,1-2H3
InChIKeyJJZWJGCSJNOZHA-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.95
Rot. Bonds5

About 3-(1-ethylpyrazolo[5,4-b]pyridin-5-yl)propyl acetate

3-(1-ethylpyrazolo[5,4-b]pyridin-5-yl)propyl acetate (PubChem CID 44577865) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 3-(1-ethylpyrazolo[5,4-b]pyridin-5-yl)propyl acetate.

Molecular Properties

Compound Name3-(1-ethylpyrazolo[5,4-b]pyridin-5-yl)propyl acetate
PubChem CID44577865
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name3-(1-ethylpyrazolo[5,4-b]pyridin-5-yl)propyl acetate
SMILESCCn1ncc2cc(CCCOC(C)=O)cnc21
InChIInChI=1S/C13H17N3O2/c1-3-16-13-12(9-15-16)7-11(8-14-13)5-4-6-18-10(2)17/h7-9H,3-6H2,1-2H3
InChIKeyJJZWJGCSJNOZHA-UHFFFAOYSA-N
XLogP1.95
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylpyrazolo[5,4-b]pyridin-5-yl)propyl acetate?
The IUPAC name of 3-(1-ethylpyrazolo[5,4-b]pyridin-5-yl)propyl acetate (CID 44577865) is 3-(1-ethylpyrazolo[5,4-b]pyridin-5-yl)propyl acetate.
What is the SMILES notation for 3-(1-ethylpyrazolo[5,4-b]pyridin-5-yl)propyl acetate?
The canonical SMILES for 3-(1-ethylpyrazolo[5,4-b]pyridin-5-yl)propyl acetate is CCn1ncc2cc(CCCOC(C)=O)cnc21.
What is the InChIKey of 3-(1-ethylpyrazolo[5,4-b]pyridin-5-yl)propyl acetate?
The InChIKey is JJZWJGCSJNOZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-3-16-13-12(9-15-16)7-11(8-14-13)5-4-6-18-10(2)17/h7-9H,3-6H2,1-2H3.
What are the key properties of 3-(1-ethylpyrazolo[5,4-b]pyridin-5-yl)propyl acetate?
3-(1-ethylpyrazolo[5,4-b]pyridin-5-yl)propyl acetate has a molecular weight of 247.30 g/mol, XLogP of 1.95, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylpyrazolo[5,4-b]pyridin-5-yl)propyl acetate is sourced from PubChem (CID 44577865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).