1,3-dimethyl-6,7,8,9-tetrahydro-5H-pyrazolo[5,4-b]quinolin-4-one

C12H15N3O — CID 135875691

IUPAC1,3-dimethyl-6,7,8,9-tetrahydro-5H-pyrazolo[5,4-b]quinolin-4-one
SMILESCc1nn(C)c2[nH]c3c(c(=O)c12)CCCC3
InChIInChI=1S/C12H15N3O/c1-7-10-11(16)8-5-3-4-6-9(8)13-12(10)15(2)14-7/h3-6H2,1-2H3,(H,13,16)
InChIKeyBRGVVESKICPCPN-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.45
Rot. Bonds

About 1,3-dimethyl-6,7,8,9-tetrahydro-5H-pyrazolo[5,4-b]quinolin-4-one

1,3-dimethyl-6,7,8,9-tetrahydro-5H-pyrazolo[5,4-b]quinolin-4-one (PubChem CID 135875691) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 1,3-dimethyl-6,7,8,9-tetrahydro-5H-pyrazolo[5,4-b]quinolin-4-one.

Molecular Properties

Compound Name1,3-dimethyl-6,7,8,9-tetrahydro-5H-pyrazolo[5,4-b]quinolin-4-one
PubChem CID135875691
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name1,3-dimethyl-6,7,8,9-tetrahydro-5H-pyrazolo[5,4-b]quinolin-4-one
SMILESCc1nn(C)c2[nH]c3c(c(=O)c12)CCCC3
InChIInChI=1S/C12H15N3O/c1-7-10-11(16)8-5-3-4-6-9(8)13-12(10)15(2)14-7/h3-6H2,1-2H3,(H,13,16)
InChIKeyBRGVVESKICPCPN-UHFFFAOYSA-N
XLogP1.45
TPSA50.68 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 ≤ 51.45
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
4,6-Dimethyl-2,4,5-triazatricyclo[7.3.0.0^{3,7}]dodeca-1(9),3(7),5-trien-8-one
CID 135875690
5-amino-3-cyclohexyl-1-methyl-1H-pyrazole-4-carboxamide
CID 23024270
1-(5-Amino-3-cyclobutyl-1-methylpyrazol-4-yl)-2,2,2-trifluoroethanone
CID 121597342
5-Acetyl-6-methyl-3,7,8-triazatricyclo[7.5.0.02,7]tetradeca-1,5,8-trien-4-one
CID 135590615
5-Amino-3-cyclohexyl-1-ethylpyrazole-4-carboxamide
CID 23024298
5-Amino-3-(cyclobutylmethyl)-1-propylpyrazole-4-carboxamide
CID 53868488
1-[5-Amino-1,3-bis(prop-2-enyl)pyrazol-4-yl]hexan-1-one
CID 70541891
5-Amino-3-cyclohexyl-1-ethylpyrazole-4-carbaldehyde
CID 89331813
1,3,6-trimethyl-7H-pyrazolo[5,4-b]pyridin-4-one
CID 135590724
3,6-dimethyl-1-ethyl-1H-pyrazolo[3,4-b]pyridin-4-ol
CID 135735328
1-ethyl-3,6-dimethyl-5-(piperidin-1-ylmethyl)-7H-pyrazolo[5,4-b]pyridin-4-one
CID 135853016

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6,7,8,9-tetrahydro-5H-pyrazolo[5,4-b]quinolin-4-one?
The IUPAC name of 1,3-dimethyl-6,7,8,9-tetrahydro-5H-pyrazolo[5,4-b]quinolin-4-one (CID 135875691) is 1,3-dimethyl-6,7,8,9-tetrahydro-5H-pyrazolo[5,4-b]quinolin-4-one.
What is the SMILES notation for 1,3-dimethyl-6,7,8,9-tetrahydro-5H-pyrazolo[5,4-b]quinolin-4-one?
The canonical SMILES for 1,3-dimethyl-6,7,8,9-tetrahydro-5H-pyrazolo[5,4-b]quinolin-4-one is Cc1nn(C)c2[nH]c3c(c(=O)c12)CCCC3.
What is the InChIKey of 1,3-dimethyl-6,7,8,9-tetrahydro-5H-pyrazolo[5,4-b]quinolin-4-one?
The InChIKey is BRGVVESKICPCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-7-10-11(16)8-5-3-4-6-9(8)13-12(10)15(2)14-7/h3-6H2,1-2H3,(H,13,16).
What are the key properties of 1,3-dimethyl-6,7,8,9-tetrahydro-5H-pyrazolo[5,4-b]quinolin-4-one?
1,3-dimethyl-6,7,8,9-tetrahydro-5H-pyrazolo[5,4-b]quinolin-4-one has a molecular weight of 217.27 g/mol, XLogP of 1.45, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6,7,8,9-tetrahydro-5H-pyrazolo[5,4-b]quinolin-4-one is sourced from PubChem (CID 135875691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).