5-tert-butyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C10H15N3O — CID 58015510

IUPAC5-tert-butyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCC(C)(C)N1CCn2nccc2C1=O
InChIInChI=1S/C10H15N3O/c1-10(2,3)12-6-7-13-8(9(12)14)4-5-11-13/h4-5H,6-7H2,1-3H3
InChIKeyTVFIYLPHGHPBTB-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.14
Rot. Bonds

About 5-tert-butyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

5-tert-butyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 58015510) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 5-tert-butyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-tert-butyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID58015510
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name5-tert-butyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCC(C)(C)N1CCn2nccc2C1=O
InChIInChI=1S/C10H15N3O/c1-10(2,3)12-6-7-13-8(9(12)14)4-5-11-13/h4-5H,6-7H2,1-3H3
InChIKeyTVFIYLPHGHPBTB-UHFFFAOYSA-N
XLogP1.14
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-tert-butyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 58015510) is 5-tert-butyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-tert-butyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-tert-butyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is CC(C)(C)N1CCn2nccc2C1=O.
What is the InChIKey of 5-tert-butyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is TVFIYLPHGHPBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-10(2,3)12-6-7-13-8(9(12)14)4-5-11-13/h4-5H,6-7H2,1-3H3.
What are the key properties of 5-tert-butyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
5-tert-butyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 193.25 g/mol, XLogP of 1.14, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 58015510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).