2-pentan-3-yl-4,5,5a,6,7,8,9,9a-octahydropyrazolo[1,5-a]quinazoline

C15H25N3 — CID 136838350

IUPAC2-pentan-3-yl-4,5,5a,6,7,8,9,9a-octahydropyrazolo[1,5-a]quinazoline
SMILESCCC(CC)c1cc2n(n1)C1CCCCC1CN2
InChIInChI=1S/C15H25N3/c1-3-11(4-2)13-9-15-16-10-12-7-5-6-8-14(12)18(15)17-13/h9,11-12,14,16H,3-8,10H2,1-2H3
InChIKeyWANOXQLMSZURRH-UHFFFAOYSA-N
MW247.39 g/mol
LogP3.94
Rot. Bonds3

About 2-pentan-3-yl-4,5,5a,6,7,8,9,9a-octahydropyrazolo[1,5-a]quinazoline

2-pentan-3-yl-4,5,5a,6,7,8,9,9a-octahydropyrazolo[1,5-a]quinazoline (PubChem CID 136838350) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 2-pentan-3-yl-4,5,5a,6,7,8,9,9a-octahydropyrazolo[1,5-a]quinazoline.

Molecular Properties

Compound Name2-pentan-3-yl-4,5,5a,6,7,8,9,9a-octahydropyrazolo[1,5-a]quinazoline
PubChem CID136838350
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name2-pentan-3-yl-4,5,5a,6,7,8,9,9a-octahydropyrazolo[1,5-a]quinazoline
SMILESCCC(CC)c1cc2n(n1)C1CCCCC1CN2
InChIInChI=1S/C15H25N3/c1-3-11(4-2)13-9-15-16-10-12-7-5-6-8-14(12)18(15)17-13/h9,11-12,14,16H,3-8,10H2,1-2H3
InChIKeyWANOXQLMSZURRH-UHFFFAOYSA-N
XLogP3.94
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-pentan-3-yl-4,5,5a,6,7,8,9,9a-octahydropyrazolo[1,5-a]quinazoline?
The IUPAC name of 2-pentan-3-yl-4,5,5a,6,7,8,9,9a-octahydropyrazolo[1,5-a]quinazoline (CID 136838350) is 2-pentan-3-yl-4,5,5a,6,7,8,9,9a-octahydropyrazolo[1,5-a]quinazoline.
What is the SMILES notation for 2-pentan-3-yl-4,5,5a,6,7,8,9,9a-octahydropyrazolo[1,5-a]quinazoline?
The canonical SMILES for 2-pentan-3-yl-4,5,5a,6,7,8,9,9a-octahydropyrazolo[1,5-a]quinazoline is CCC(CC)c1cc2n(n1)C1CCCCC1CN2.
What is the InChIKey of 2-pentan-3-yl-4,5,5a,6,7,8,9,9a-octahydropyrazolo[1,5-a]quinazoline?
The InChIKey is WANOXQLMSZURRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-3-11(4-2)13-9-15-16-10-12-7-5-6-8-14(12)18(15)17-13/h9,11-12,14,16H,3-8,10H2,1-2H3.
What are the key properties of 2-pentan-3-yl-4,5,5a,6,7,8,9,9a-octahydropyrazolo[1,5-a]quinazoline?
2-pentan-3-yl-4,5,5a,6,7,8,9,9a-octahydropyrazolo[1,5-a]quinazoline has a molecular weight of 247.39 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentan-3-yl-4,5,5a,6,7,8,9,9a-octahydropyrazolo[1,5-a]quinazoline is sourced from PubChem (CID 136838350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).