8,8-dimethyl-6-oxo-7,9-dihydropyrazolo[1,5-a]quinazoline-3-carbonitrile

C13H12N4O — CID 1480426

IUPAC8,8-dimethyl-6-oxo-7,9-dihydropyrazolo[1,5-a]quinazoline-3-carbonitrile
SMILESCC1(C)CC(=O)c2cnc3c(C#N)cnn3c2C1
InChIInChI=1S/C13H12N4O/c1-13(2)3-10-9(11(18)4-13)7-15-12-8(5-14)6-16-17(10)12/h6-7H,3-4H2,1-2H3
InChIKeyFRMNGYHWYCWVDS-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.76
Rot. Bonds

About 8,8-dimethyl-6-oxo-7,9-dihydropyrazolo[1,5-a]quinazoline-3-carbonitrile

8,8-dimethyl-6-oxo-7,9-dihydropyrazolo[1,5-a]quinazoline-3-carbonitrile (PubChem CID 1480426) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 8,8-dimethyl-6-oxo-7,9-dihydropyrazolo[1,5-a]quinazoline-3-carbonitrile.

Molecular Properties

Compound Name8,8-dimethyl-6-oxo-7,9-dihydropyrazolo[1,5-a]quinazoline-3-carbonitrile
PubChem CID1480426
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name8,8-dimethyl-6-oxo-7,9-dihydropyrazolo[1,5-a]quinazoline-3-carbonitrile
SMILESCC1(C)CC(=O)c2cnc3c(C#N)cnn3c2C1
InChIInChI=1S/C13H12N4O/c1-13(2)3-10-9(11(18)4-13)7-15-12-8(5-14)6-16-17(10)12/h6-7H,3-4H2,1-2H3
InChIKeyFRMNGYHWYCWVDS-UHFFFAOYSA-N
XLogP1.76
TPSA71.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-6-oxo-7,9-dihydropyrazolo[1,5-a]quinazoline-3-carbonitrile?
The IUPAC name of 8,8-dimethyl-6-oxo-7,9-dihydropyrazolo[1,5-a]quinazoline-3-carbonitrile (CID 1480426) is 8,8-dimethyl-6-oxo-7,9-dihydropyrazolo[1,5-a]quinazoline-3-carbonitrile.
What is the SMILES notation for 8,8-dimethyl-6-oxo-7,9-dihydropyrazolo[1,5-a]quinazoline-3-carbonitrile?
The canonical SMILES for 8,8-dimethyl-6-oxo-7,9-dihydropyrazolo[1,5-a]quinazoline-3-carbonitrile is CC1(C)CC(=O)c2cnc3c(C#N)cnn3c2C1.
What is the InChIKey of 8,8-dimethyl-6-oxo-7,9-dihydropyrazolo[1,5-a]quinazoline-3-carbonitrile?
The InChIKey is FRMNGYHWYCWVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c1-13(2)3-10-9(11(18)4-13)7-15-12-8(5-14)6-16-17(10)12/h6-7H,3-4H2,1-2H3.
What are the key properties of 8,8-dimethyl-6-oxo-7,9-dihydropyrazolo[1,5-a]quinazoline-3-carbonitrile?
8,8-dimethyl-6-oxo-7,9-dihydropyrazolo[1,5-a]quinazoline-3-carbonitrile has a molecular weight of 240.27 g/mol, XLogP of 1.76, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-6-oxo-7,9-dihydropyrazolo[1,5-a]quinazoline-3-carbonitrile is sourced from PubChem (CID 1480426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).