2-propan-2-yl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one

C13H17N3O — CID 113433916

IUPAC2-propan-2-yl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one
SMILESCC(C)c1cc2nc3c(c(=O)n2[nH]1)CCCC3
InChIInChI=1S/C13H17N3O/c1-8(2)11-7-12-14-10-6-4-3-5-9(10)13(17)16(12)15-11/h7-8,15H,3-6H2,1-2H3
InChIKeyGXQYVSFOVDOGEK-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.02
Rot. Bonds1

About 2-propan-2-yl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one

2-propan-2-yl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one (PubChem CID 113433916) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-propan-2-yl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one.

Molecular Properties

Compound Name2-propan-2-yl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one
PubChem CID113433916
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-propan-2-yl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one
SMILESCC(C)c1cc2nc3c(c(=O)n2[nH]1)CCCC3
InChIInChI=1S/C13H17N3O/c1-8(2)11-7-12-14-10-6-4-3-5-9(10)13(17)16(12)15-11/h7-8,15H,3-6H2,1-2H3
InChIKeyGXQYVSFOVDOGEK-UHFFFAOYSA-N
XLogP2.02
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

11-methyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one
CID 3613608
11-ethyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one
CID 104621255
5-ethyl-2,6,7-triazatricyclo[7.5.0.03,7]tetradeca-1(9),2,4-trien-8-one
CID 104621296
11-(4-fluorophenyl)-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one
CID 804448
6-(2-bromoethyl)-5-methyl-2-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82271797
2-propan-2-ylsulfanyl-5,6,7,8-tetrahydro-1H-[1,2,4]triazolo[5,1-b]quinazolin-9-one
CID 12023100
11-propan-2-yl-5-[(2R)-pyrrolidin-2-yl]-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one
CID 98043041
11-propan-2-yl-5-pyrrolidin-2-yl-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one;hydrochloride
CID 71298589
1,2,3,4-tetrahydropyrido[2,1-b]quinazolin-11-one
CID 523987
5-cyclopropyl-11-(3-methylbutyl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one
CID 92579080
2-(7-oxo-2-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetic acid
CID 83896452
5-[2-(4-methylphenyl)ethynyl]-2,8-diazatricyclo[8.5.0.03,8]pentadeca-1(10),2,4,6-tetraen-9-one
CID 58574735

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one?
The IUPAC name of 2-propan-2-yl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one (CID 113433916) is 2-propan-2-yl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one.
What is the SMILES notation for 2-propan-2-yl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one?
The canonical SMILES for 2-propan-2-yl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one is CC(C)c1cc2nc3c(c(=O)n2[nH]1)CCCC3.
What is the InChIKey of 2-propan-2-yl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one?
The InChIKey is GXQYVSFOVDOGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-8(2)11-7-12-14-10-6-4-3-5-9(10)13(17)16(12)15-11/h7-8,15H,3-6H2,1-2H3.
What are the key properties of 2-propan-2-yl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one?
2-propan-2-yl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one has a molecular weight of 231.30 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one is sourced from PubChem (CID 113433916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).