2-methyl-3-phenyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one

C17H15N3O — CID 666709

IUPAC2-methyl-3-phenyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one
SMILESCc1nn2c3c(cnc2c1-c1ccccc1)C(=O)CCC3
InChIInChI=1S/C17H15N3O/c1-11-16(12-6-3-2-4-7-12)17-18-10-13-14(20(17)19-11)8-5-9-15(13)21/h2-4,6-7,10H,5,8-9H2,1H3
InChIKeyQTIKIGGPQGCTBR-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.22
Rot. Bonds1

About 2-methyl-3-phenyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one

2-methyl-3-phenyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one (PubChem CID 666709) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 2-methyl-3-phenyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one.

Molecular Properties

Compound Name2-methyl-3-phenyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one
PubChem CID666709
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name2-methyl-3-phenyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one
SMILESCc1nn2c3c(cnc2c1-c1ccccc1)C(=O)CCC3
InChIInChI=1S/C17H15N3O/c1-11-16(12-6-3-2-4-7-12)17-18-10-13-14(20(17)19-11)8-5-9-15(13)21/h2-4,6-7,10H,5,8-9H2,1H3
InChIKeyQTIKIGGPQGCTBR-UHFFFAOYSA-N
XLogP3.22
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ocinaplon
CID 216456
CU-CPT-8m
CID 15042086
2,7-dimethyl-N,3-diphenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 936600
2-(2,3-dihydro-1H-indol-1-yl)-7,7-dimethyl-7,8-dihydroquinazolin-5(6H)-one
CID 943239
1-(7-Methyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone
CID 641891
2-(2,3-dihydro-1H-indol-1-yl)-7,8-dihydroquinazolin-5(6H)-one
CID 663648
1-[2-(4-Chlorophenyl)-7-Methylpyrazolo[1,5-A]Pyrimidin-6-Yl]Ethan-1-One
CID 677918
1-(7-Methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone
CID 708078
1-[3-(4-Chlorophenyl)-2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 808166
1-[3-(3-Bromophenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 808368
1-(4,6-dimethylpyrimidin-2-yl)-6-(3-methylphenyl)-1,5,6,7-tetrahydro-4H-indazol-4-one
CID 16457556
1-[4-[(1,3-Dimethylpyrazolo[3,4-b]quinolin-4-yl)amino]phenyl]ethanone
CID 5063441

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-phenyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one?
The IUPAC name of 2-methyl-3-phenyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one (CID 666709) is 2-methyl-3-phenyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one.
What is the SMILES notation for 2-methyl-3-phenyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one?
The canonical SMILES for 2-methyl-3-phenyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one is Cc1nn2c3c(cnc2c1-c1ccccc1)C(=O)CCC3.
What is the InChIKey of 2-methyl-3-phenyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one?
The InChIKey is QTIKIGGPQGCTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c1-11-16(12-6-3-2-4-7-12)17-18-10-13-14(20(17)19-11)8-5-9-15(13)21/h2-4,6-7,10H,5,8-9H2,1H3.
What are the key properties of 2-methyl-3-phenyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one?
2-methyl-3-phenyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one has a molecular weight of 277.33 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-phenyl-8,9-dihydro-7H-pyrazolo[1,5-a]quinazolin-6-one is sourced from PubChem (CID 666709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).