4-propan-2-yl-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrazine

C9H19N3 — CID 140642578

IUPAC4-propan-2-yl-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrazine
SMILESCC(C)C1NCCN2NCCC12
InChIInChI=1S/C9H19N3/c1-7(2)9-8-3-4-11-12(8)6-5-10-9/h7-11H,3-6H2,1-2H3
InChIKeyILLCHDXSAZFTLK-UHFFFAOYSA-N
MW169.27 g/mol
LogP0.19
Rot. Bonds1

About 4-propan-2-yl-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrazine

4-propan-2-yl-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrazine (PubChem CID 140642578) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is 4-propan-2-yl-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name4-propan-2-yl-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrazine
PubChem CID140642578
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC Name4-propan-2-yl-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrazine
SMILESCC(C)C1NCCN2NCCC12
InChIInChI=1S/C9H19N3/c1-7(2)9-8-3-4-11-12(8)6-5-10-9/h7-11H,3-6H2,1-2H3
InChIKeyILLCHDXSAZFTLK-UHFFFAOYSA-N
XLogP0.19
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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3-phenyl-2-propan-2-ylpyrrolidine
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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrazine?
The IUPAC name of 4-propan-2-yl-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrazine (CID 140642578) is 4-propan-2-yl-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 4-propan-2-yl-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrazine?
The canonical SMILES for 4-propan-2-yl-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrazine is CC(C)C1NCCN2NCCC12.
What is the InChIKey of 4-propan-2-yl-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrazine?
The InChIKey is ILLCHDXSAZFTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3/c1-7(2)9-8-3-4-11-12(8)6-5-10-9/h7-11H,3-6H2,1-2H3.
What are the key properties of 4-propan-2-yl-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrazine?
4-propan-2-yl-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrazine has a molecular weight of 169.27 g/mol, XLogP of 0.19, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-1,2,3,3a,4,5,6,7-octahydropyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 140642578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).