2,3-dimethyl-6,7,8,9-tetrahydro-4H-pyrazolo[1,5-a]quinazolin-5-one

C12H15N3O — CID 136869043

IUPAC2,3-dimethyl-6,7,8,9-tetrahydro-4H-pyrazolo[1,5-a]quinazolin-5-one
SMILESCc1nn2c3c(c(=O)[nH]c2c1C)CCCC3
InChIInChI=1S/C12H15N3O/c1-7-8(2)14-15-10-6-4-3-5-9(10)12(16)13-11(7)15/h3-6H2,1-2H3,(H,13,16)
InChIKeyNTTNMOCEBHYASV-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.52
Rot. Bonds

About 2,3-dimethyl-6,7,8,9-tetrahydro-4H-pyrazolo[1,5-a]quinazolin-5-one

2,3-dimethyl-6,7,8,9-tetrahydro-4H-pyrazolo[1,5-a]quinazolin-5-one (PubChem CID 136869043) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 2,3-dimethyl-6,7,8,9-tetrahydro-4H-pyrazolo[1,5-a]quinazolin-5-one.

Molecular Properties

Compound Name2,3-dimethyl-6,7,8,9-tetrahydro-4H-pyrazolo[1,5-a]quinazolin-5-one
PubChem CID136869043
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name2,3-dimethyl-6,7,8,9-tetrahydro-4H-pyrazolo[1,5-a]quinazolin-5-one
SMILESCc1nn2c3c(c(=O)[nH]c2c1C)CCCC3
InChIInChI=1S/C12H15N3O/c1-7-8(2)14-15-10-6-4-3-5-9(10)12(16)13-11(7)15/h3-6H2,1-2H3,(H,13,16)
InChIKeyNTTNMOCEBHYASV-UHFFFAOYSA-N
XLogP1.52
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-Dimethyl-3,4,6,7,8,9-hexahydropyrazolo[3,4-c]isoquinolin-5-one
CID 135512456
2-(5-amino-3-methyl-1H-pyrazol-1-yl)-5,6,7,8-tetrahydroquinazolin-4(3H)-one
CID 135876305
5-Acetyl-6-methyl-3,7,8-triazatricyclo[7.5.0.02,7]tetradeca-1,5,8-trien-4-one
CID 135590615
Tetramethylpyrazolo[1,5-a]pyrimidin-5-ol
CID 135627012
7,9-Dimethyl-1,2,3,4,6,7-hexahydro-5h-pyrazolo[3,4-h]-1,6-naphthyridin-5-one
CID 136414497
N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-4,5-dimethylpyrazol-3-yl]cyclopentanecarboxamide
CID 156278056
2-(5-amino-3,4-dimethylpyrazol-1-yl)-5-ethyl-4-methyl-1H-pyrimidin-6-one
CID 156278062
N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-4,5-dimethylpyrazol-3-yl]cyclohexanecarboxamide
CID 156278099
3-(3-but-3-ynyldiazirin-3-yl)-N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-4,5-dimethylpyrazol-3-yl]propanamide
CID 156286001
6-cyclopentyl-3-ethyl-7-hydroxy-2-methyl-4H-pyrazolo[1,5-a]pyrimidin-5-one
CID 136325204
2-methyl-6H,7H,8H,9H-pyrazolo[1,5-a]quinazolin-5-ol
CID 136773932
11-Methyl-1,8,12-triazatricyclo[7.3.0.0,2,6]dodeca-2(6),7,9,11-tetraen-7-ol
CID 136773933

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-6,7,8,9-tetrahydro-4H-pyrazolo[1,5-a]quinazolin-5-one?
The IUPAC name of 2,3-dimethyl-6,7,8,9-tetrahydro-4H-pyrazolo[1,5-a]quinazolin-5-one (CID 136869043) is 2,3-dimethyl-6,7,8,9-tetrahydro-4H-pyrazolo[1,5-a]quinazolin-5-one.
What is the SMILES notation for 2,3-dimethyl-6,7,8,9-tetrahydro-4H-pyrazolo[1,5-a]quinazolin-5-one?
The canonical SMILES for 2,3-dimethyl-6,7,8,9-tetrahydro-4H-pyrazolo[1,5-a]quinazolin-5-one is Cc1nn2c3c(c(=O)[nH]c2c1C)CCCC3.
What is the InChIKey of 2,3-dimethyl-6,7,8,9-tetrahydro-4H-pyrazolo[1,5-a]quinazolin-5-one?
The InChIKey is NTTNMOCEBHYASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-7-8(2)14-15-10-6-4-3-5-9(10)12(16)13-11(7)15/h3-6H2,1-2H3,(H,13,16).
What are the key properties of 2,3-dimethyl-6,7,8,9-tetrahydro-4H-pyrazolo[1,5-a]quinazolin-5-one?
2,3-dimethyl-6,7,8,9-tetrahydro-4H-pyrazolo[1,5-a]quinazolin-5-one has a molecular weight of 217.27 g/mol, XLogP of 1.52, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-6,7,8,9-tetrahydro-4H-pyrazolo[1,5-a]quinazolin-5-one is sourced from PubChem (CID 136869043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).