3-(4,5,5a,6,7,8,9,9a-octahydropyrazolo[1,5-a]quinazolin-3-yl)propan-1-ol

C13H21N3O — CID 136710300

IUPAC3-(4,5,5a,6,7,8,9,9a-octahydropyrazolo[1,5-a]quinazolin-3-yl)propan-1-ol
SMILESOCCCc1cnn2c1NCC1CCCCC12
InChIInChI=1S/C13H21N3O/c17-7-3-5-11-9-15-16-12-6-2-1-4-10(12)8-14-13(11)16/h9-10,12,14,17H,1-8H2
InChIKeyZNYKBEHYHJRWCL-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.96
Rot. Bonds3

About 3-(4,5,5a,6,7,8,9,9a-octahydropyrazolo[1,5-a]quinazolin-3-yl)propan-1-ol

3-(4,5,5a,6,7,8,9,9a-octahydropyrazolo[1,5-a]quinazolin-3-yl)propan-1-ol (PubChem CID 136710300) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-(4,5,5a,6,7,8,9,9a-octahydropyrazolo[1,5-a]quinazolin-3-yl)propan-1-ol.

Molecular Properties

Compound Name3-(4,5,5a,6,7,8,9,9a-octahydropyrazolo[1,5-a]quinazolin-3-yl)propan-1-ol
PubChem CID136710300
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name3-(4,5,5a,6,7,8,9,9a-octahydropyrazolo[1,5-a]quinazolin-3-yl)propan-1-ol
SMILESOCCCc1cnn2c1NCC1CCCCC12
InChIInChI=1S/C13H21N3O/c17-7-3-5-11-9-15-16-12-6-2-1-4-10(12)8-14-13(11)16/h9-10,12,14,17H,1-8H2
InChIKeyZNYKBEHYHJRWCL-UHFFFAOYSA-N
XLogP1.96
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4,5,5a,6,7,8,9,9a-octahydropyrazolo[1,5-a]quinazolin-3-yl)propan-1-ol?
The IUPAC name of 3-(4,5,5a,6,7,8,9,9a-octahydropyrazolo[1,5-a]quinazolin-3-yl)propan-1-ol (CID 136710300) is 3-(4,5,5a,6,7,8,9,9a-octahydropyrazolo[1,5-a]quinazolin-3-yl)propan-1-ol.
What is the SMILES notation for 3-(4,5,5a,6,7,8,9,9a-octahydropyrazolo[1,5-a]quinazolin-3-yl)propan-1-ol?
The canonical SMILES for 3-(4,5,5a,6,7,8,9,9a-octahydropyrazolo[1,5-a]quinazolin-3-yl)propan-1-ol is OCCCc1cnn2c1NCC1CCCCC12.
What is the InChIKey of 3-(4,5,5a,6,7,8,9,9a-octahydropyrazolo[1,5-a]quinazolin-3-yl)propan-1-ol?
The InChIKey is ZNYKBEHYHJRWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c17-7-3-5-11-9-15-16-12-6-2-1-4-10(12)8-14-13(11)16/h9-10,12,14,17H,1-8H2.
What are the key properties of 3-(4,5,5a,6,7,8,9,9a-octahydropyrazolo[1,5-a]quinazolin-3-yl)propan-1-ol?
3-(4,5,5a,6,7,8,9,9a-octahydropyrazolo[1,5-a]quinazolin-3-yl)propan-1-ol has a molecular weight of 235.33 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5,5a,6,7,8,9,9a-octahydropyrazolo[1,5-a]quinazolin-3-yl)propan-1-ol is sourced from PubChem (CID 136710300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).