1,4,5,7,8,9,10,10a-octahydropyrazolo[5,4-a]quinolizine

C10H15N3 — CID 14004033

IUPAC1,4,5,7,8,9,10,10a-octahydropyrazolo[5,4-a]quinolizine
SMILESc1n[nH]c2c1CCN1CCCCC21
InChIInChI=1S/C10H15N3/c1-2-5-13-6-4-8-7-11-12-10(8)9(13)3-1/h7,9H,1-6H2,(H,11,12)
InChIKeyFIWQPBGSTABWLI-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.49
Rot. Bonds

About 1,4,5,7,8,9,10,10a-octahydropyrazolo[5,4-a]quinolizine

1,4,5,7,8,9,10,10a-octahydropyrazolo[5,4-a]quinolizine (PubChem CID 14004033) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is 1,4,5,7,8,9,10,10a-octahydropyrazolo[5,4-a]quinolizine.

Molecular Properties

Compound Name1,4,5,7,8,9,10,10a-octahydropyrazolo[5,4-a]quinolizine
PubChem CID14004033
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name1,4,5,7,8,9,10,10a-octahydropyrazolo[5,4-a]quinolizine
SMILESc1n[nH]c2c1CCN1CCCCC21
InChIInChI=1S/C10H15N3/c1-2-5-13-6-4-8-7-11-12-10(8)9(13)3-1/h7,9H,1-6H2,(H,11,12)
InChIKeyFIWQPBGSTABWLI-UHFFFAOYSA-N
XLogP1.49
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4,5,7,8,9,10,10a-octahydropyrazolo[5,4-a]quinolizine?
The IUPAC name of 1,4,5,7,8,9,10,10a-octahydropyrazolo[5,4-a]quinolizine (CID 14004033) is 1,4,5,7,8,9,10,10a-octahydropyrazolo[5,4-a]quinolizine.
What is the SMILES notation for 1,4,5,7,8,9,10,10a-octahydropyrazolo[5,4-a]quinolizine?
The canonical SMILES for 1,4,5,7,8,9,10,10a-octahydropyrazolo[5,4-a]quinolizine is c1n[nH]c2c1CCN1CCCCC21.
What is the InChIKey of 1,4,5,7,8,9,10,10a-octahydropyrazolo[5,4-a]quinolizine?
The InChIKey is FIWQPBGSTABWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c1-2-5-13-6-4-8-7-11-12-10(8)9(13)3-1/h7,9H,1-6H2,(H,11,12).
What are the key properties of 1,4,5,7,8,9,10,10a-octahydropyrazolo[5,4-a]quinolizine?
1,4,5,7,8,9,10,10a-octahydropyrazolo[5,4-a]quinolizine has a molecular weight of 177.25 g/mol, XLogP of 1.49, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,5,7,8,9,10,10a-octahydropyrazolo[5,4-a]quinolizine is sourced from PubChem (CID 14004033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).