2,8,8-trimethyl-7,9-dihydropyrazolo[1,5-a]quinazolin-6-one

C13H15N3O — CID 66505515

IUPAC2,8,8-trimethyl-7,9-dihydropyrazolo[1,5-a]quinazolin-6-one
SMILESCc1cc2ncc3c(n2n1)CC(C)(C)CC3=O
InChIInChI=1S/C13H15N3O/c1-8-4-12-14-7-9-10(16(12)15-8)5-13(2,3)6-11(9)17/h4,7H,5-6H2,1-3H3
InChIKeyBDFRGAURHNLYSE-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.19
Rot. Bonds

About 2,8,8-trimethyl-7,9-dihydropyrazolo[1,5-a]quinazolin-6-one

2,8,8-trimethyl-7,9-dihydropyrazolo[1,5-a]quinazolin-6-one (PubChem CID 66505515) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 2,8,8-trimethyl-7,9-dihydropyrazolo[1,5-a]quinazolin-6-one.

Molecular Properties

Compound Name2,8,8-trimethyl-7,9-dihydropyrazolo[1,5-a]quinazolin-6-one
PubChem CID66505515
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name2,8,8-trimethyl-7,9-dihydropyrazolo[1,5-a]quinazolin-6-one
SMILESCc1cc2ncc3c(n2n1)CC(C)(C)CC3=O
InChIInChI=1S/C13H15N3O/c1-8-4-12-14-7-9-10(16(12)15-8)5-13(2,3)6-11(9)17/h4,7H,5-6H2,1-3H3
InChIKeyBDFRGAURHNLYSE-UHFFFAOYSA-N
XLogP2.19
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,8,8-trimethyl-7,9-dihydropyrazolo[1,5-a]quinazolin-6-one?
The IUPAC name of 2,8,8-trimethyl-7,9-dihydropyrazolo[1,5-a]quinazolin-6-one (CID 66505515) is 2,8,8-trimethyl-7,9-dihydropyrazolo[1,5-a]quinazolin-6-one.
What is the SMILES notation for 2,8,8-trimethyl-7,9-dihydropyrazolo[1,5-a]quinazolin-6-one?
The canonical SMILES for 2,8,8-trimethyl-7,9-dihydropyrazolo[1,5-a]quinazolin-6-one is Cc1cc2ncc3c(n2n1)CC(C)(C)CC3=O.
What is the InChIKey of 2,8,8-trimethyl-7,9-dihydropyrazolo[1,5-a]quinazolin-6-one?
The InChIKey is BDFRGAURHNLYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-8-4-12-14-7-9-10(16(12)15-8)5-13(2,3)6-11(9)17/h4,7H,5-6H2,1-3H3.
What are the key properties of 2,8,8-trimethyl-7,9-dihydropyrazolo[1,5-a]quinazolin-6-one?
2,8,8-trimethyl-7,9-dihydropyrazolo[1,5-a]quinazolin-6-one has a molecular weight of 229.28 g/mol, XLogP of 2.19, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8,8-trimethyl-7,9-dihydropyrazolo[1,5-a]quinazolin-6-one is sourced from PubChem (CID 66505515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).