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

C14H17N3O — CID 47001193

IUPAC2,5,8,8-tetramethyl-7,9-dihydropyrazolo[1,5-a]quinazolin-6-one
SMILESCc1cc2nc(C)c3c(n2n1)CC(C)(C)CC3=O
InChIInChI=1S/C14H17N3O/c1-8-5-12-15-9(2)13-10(17(12)16-8)6-14(3,4)7-11(13)18/h5H,6-7H2,1-4H3
InChIKeyPYUIGHAZKVYRRR-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.50
Rot. Bonds

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

2,5,8,8-tetramethyl-7,9-dihydropyrazolo[1,5-a]quinazolin-6-one (PubChem CID 47001193) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 2,5,8,8-tetramethyl-7,9-dihydropyrazolo[1,5-a]quinazolin-6-one.

Molecular Properties

Compound Name2,5,8,8-tetramethyl-7,9-dihydropyrazolo[1,5-a]quinazolin-6-one
PubChem CID47001193
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name2,5,8,8-tetramethyl-7,9-dihydropyrazolo[1,5-a]quinazolin-6-one
SMILESCc1cc2nc(C)c3c(n2n1)CC(C)(C)CC3=O
InChIInChI=1S/C14H17N3O/c1-8-5-12-15-9(2)13-10(17(12)16-8)6-14(3,4)7-11(13)18/h5H,6-7H2,1-4H3
InChIKeyPYUIGHAZKVYRRR-UHFFFAOYSA-N
XLogP2.50
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5,8,8-tetramethyl-7,9-dihydropyrazolo[1,5-a]quinazolin-6-one?
The IUPAC name of 2,5,8,8-tetramethyl-7,9-dihydropyrazolo[1,5-a]quinazolin-6-one (CID 47001193) is 2,5,8,8-tetramethyl-7,9-dihydropyrazolo[1,5-a]quinazolin-6-one.
What is the SMILES notation for 2,5,8,8-tetramethyl-7,9-dihydropyrazolo[1,5-a]quinazolin-6-one?
The canonical SMILES for 2,5,8,8-tetramethyl-7,9-dihydropyrazolo[1,5-a]quinazolin-6-one is Cc1cc2nc(C)c3c(n2n1)CC(C)(C)CC3=O.
What is the InChIKey of 2,5,8,8-tetramethyl-7,9-dihydropyrazolo[1,5-a]quinazolin-6-one?
The InChIKey is PYUIGHAZKVYRRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-8-5-12-15-9(2)13-10(17(12)16-8)6-14(3,4)7-11(13)18/h5H,6-7H2,1-4H3.
What are the key properties of 2,5,8,8-tetramethyl-7,9-dihydropyrazolo[1,5-a]quinazolin-6-one?
2,5,8,8-tetramethyl-7,9-dihydropyrazolo[1,5-a]quinazolin-6-one has a molecular weight of 243.31 g/mol, XLogP of 2.50, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,8,8-tetramethyl-7,9-dihydropyrazolo[1,5-a]quinazolin-6-one is sourced from PubChem (CID 47001193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).