3-methyl-1-(1-propylpiperidin-4-yl)-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-c]isoquinolin-5-one

C19H28N4O — CID 135948855

IUPAC3-methyl-1-(1-propylpiperidin-4-yl)-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-c]isoquinolin-5-one
SMILESCCCN1CCC(c2nn(C)c3[nH]c(=O)c4c(c23)CCCC4)CC1
InChIInChI=1S/C19H28N4O/c1-3-10-23-11-8-13(9-12-23)17-16-14-6-4-5-7-15(14)19(24)20-18(16)22(2)21-17/h13H,3-12H2,1-2H3,(H,20,24)
InChIKeyXQCQWANCRJRZQV-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.73
Rot. Bonds3

About 3-methyl-1-(1-propylpiperidin-4-yl)-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-c]isoquinolin-5-one

3-methyl-1-(1-propylpiperidin-4-yl)-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-c]isoquinolin-5-one (PubChem CID 135948855) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is 3-methyl-1-(1-propylpiperidin-4-yl)-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-c]isoquinolin-5-one.

Molecular Properties

Compound Name3-methyl-1-(1-propylpiperidin-4-yl)-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-c]isoquinolin-5-one
PubChem CID135948855
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC Name3-methyl-1-(1-propylpiperidin-4-yl)-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-c]isoquinolin-5-one
SMILESCCCN1CCC(c2nn(C)c3[nH]c(=O)c4c(c23)CCCC4)CC1
InChIInChI=1S/C19H28N4O/c1-3-10-23-11-8-13(9-12-23)17-16-14-6-4-5-7-15(14)19(24)20-18(16)22(2)21-17/h13H,3-12H2,1-2H3,(H,20,24)
InChIKeyXQCQWANCRJRZQV-UHFFFAOYSA-N
XLogP2.73
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-methyl-1-(1-propylpiperidin-4-yl)-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-c]isoquinolin-5-one with MolForge

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Related Compounds

1,3-Dimethyl-3,4,6,7,8,9-hexahydropyrazolo[3,4-c]isoquinolin-5-one
CID 135512456
3,5-Dimethyl-4,5,7-triazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3-trien-8-one
CID 135621700
5-Tert-butyl-3-methyl-4,5,7-triazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3-trien-8-one
CID 135875699
5-Methyl-3-phenyl-4,5,7-triazatricyclo[7.4.0.0^{2,6}]trideca-1(9),2(6),3-trien-8-one
CID 135875702
1-[(2R)-1-methylpyrrolidin-2-yl]-3-(2,2,2-trifluoroethyl)-6,7,8,9-tetrahydro-4H-pyrazolo[3,4-c]isoquinolin-5-one
CID 136341238
1-[(2R)-1-propan-2-ylpyrrolidin-2-yl]-3-(2,2,2-trifluoroethyl)-6,7,8,9-tetrahydro-4H-pyrazolo[3,4-c]isoquinolin-5-one
CID 136341272
1-[(2R)-1-cyclopentylpyrrolidin-2-yl]-3-(2,2,2-trifluoroethyl)-6,7,8,9-tetrahydro-4H-pyrazolo[3,4-c]isoquinolin-5-one
CID 136357970
1-[(2R)-1-cyclohexylpyrrolidin-2-yl]-3-(2,2,2-trifluoroethyl)-6,7,8,9-tetrahydro-4H-pyrazolo[3,4-c]isoquinolin-5-one
CID 136357976
1-[(2R)-1-cyclobutylpyrrolidin-2-yl]-3-(2,2,2-trifluoroethyl)-6,7,8,9-tetrahydro-4H-pyrazolo[3,4-c]isoquinolin-5-one
CID 136414382
1-[(2R)-1-cycloheptylpyrrolidin-2-yl]-3-(2,2,2-trifluoroethyl)-6,7,8,9-tetrahydro-4H-pyrazolo[3,4-c]isoquinolin-5-one
CID 136414479
1-[(2R)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-3-(2,2,2-trifluoroethyl)-6,7,8,9-tetrahydro-4H-pyrazolo[3,4-c]isoquinolin-5-one
CID 136414500
(2R)-2-[5-oxo-3-(2,2,2-trifluoroethyl)-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-c]isoquinolin-1-yl]pyrrolidine-1-carboxylic acid
CID 136414505

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(1-propylpiperidin-4-yl)-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-c]isoquinolin-5-one?
The IUPAC name of 3-methyl-1-(1-propylpiperidin-4-yl)-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-c]isoquinolin-5-one (CID 135948855) is 3-methyl-1-(1-propylpiperidin-4-yl)-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-c]isoquinolin-5-one.
What is the SMILES notation for 3-methyl-1-(1-propylpiperidin-4-yl)-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-c]isoquinolin-5-one?
The canonical SMILES for 3-methyl-1-(1-propylpiperidin-4-yl)-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-c]isoquinolin-5-one is CCCN1CCC(c2nn(C)c3[nH]c(=O)c4c(c23)CCCC4)CC1.
What is the InChIKey of 3-methyl-1-(1-propylpiperidin-4-yl)-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-c]isoquinolin-5-one?
The InChIKey is XQCQWANCRJRZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O/c1-3-10-23-11-8-13(9-12-23)17-16-14-6-4-5-7-15(14)19(24)20-18(16)22(2)21-17/h13H,3-12H2,1-2H3,(H,20,24).
What are the key properties of 3-methyl-1-(1-propylpiperidin-4-yl)-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-c]isoquinolin-5-one?
3-methyl-1-(1-propylpiperidin-4-yl)-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-c]isoquinolin-5-one has a molecular weight of 328.46 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1-propylpiperidin-4-yl)-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-c]isoquinolin-5-one is sourced from PubChem (CID 135948855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).