3-methyl-1-thiophen-2-yl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-c]isoquinolin-5-one

C15H15N3OS — CID 135875703

IUPAC3-methyl-1-thiophen-2-yl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-c]isoquinolin-5-one
SMILESCn1nc(-c2cccs2)c2c3c(c(=O)[nH]c21)CCCC3
InChIInChI=1S/C15H15N3OS/c1-18-14-12(13(17-18)11-7-4-8-20-11)9-5-2-3-6-10(9)15(19)16-14/h4,7-8H,2-3,5-6H2,1H3,(H,16,19)
InChIKeyCYNIHFHYXZPNDK-UHFFFAOYSA-N
MW285.37 g/mol
LogP2.87
Rot. Bonds1

About 3-methyl-1-thiophen-2-yl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-c]isoquinolin-5-one

3-methyl-1-thiophen-2-yl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-c]isoquinolin-5-one (PubChem CID 135875703) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 3-methyl-1-thiophen-2-yl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-c]isoquinolin-5-one.

Molecular Properties

Compound Name3-methyl-1-thiophen-2-yl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-c]isoquinolin-5-one
PubChem CID135875703
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name3-methyl-1-thiophen-2-yl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-c]isoquinolin-5-one
SMILESCn1nc(-c2cccs2)c2c3c(c(=O)[nH]c21)CCCC3
InChIInChI=1S/C15H15N3OS/c1-18-14-12(13(17-18)11-7-4-8-20-11)9-5-2-3-6-10(9)15(19)16-14/h4,7-8H,2-3,5-6H2,1H3,(H,16,19)
InChIKeyCYNIHFHYXZPNDK-UHFFFAOYSA-N
XLogP2.87
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-methyl-1-thiophen-2-yl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-c]isoquinolin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Methyl-3-(thiophen-2-yl)-4,5,7-triazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3-trien-8-one
CID 135875698
5-Methyl-3-phenyl-11-thia-4,5,7-triazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3-trien-8-one
CID 135875693
5-Methyl-3-(thiophen-2-yl)-11-thia-4,5,7-triazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3-trien-8-one
CID 135875694
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
N-(1-methyl-3-phenyl-1H-pyrazol-5-yl)-2-thiophenecarboxamide
CID 2814958
(5-Amino-3-methyl-4-phenylpyrazol-1-yl)-thiophen-2-ylmethanone
CID 1263277
N-(2-methyl-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)thiophene-2-carboxamide
CID 30859087
N-(2,5-dimethylpyrazol-3-yl)-3-thiophen-3-ylpropanamide
CID 45811643
1,4-dimethyl-3-thiophen-2-yl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135418906
N-(1-(4,5-dimethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-(thiophen-2-yl)-1H-pyrazol-5-yl)-2-(4-fluorophenyl)acetamide
CID 135881094
3-methyl-1-propyl-4-[5-(pyrrolidin-1-ylmethyl)-2-thienyl]-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
CID 136056136
3-cyclopropyl-1-methyl-4-[5-(piperidin-1-ylmethyl)-2-thienyl]-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
CID 136076973

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-thiophen-2-yl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-c]isoquinolin-5-one?
The IUPAC name of 3-methyl-1-thiophen-2-yl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-c]isoquinolin-5-one (CID 135875703) is 3-methyl-1-thiophen-2-yl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-c]isoquinolin-5-one.
What is the SMILES notation for 3-methyl-1-thiophen-2-yl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-c]isoquinolin-5-one?
The canonical SMILES for 3-methyl-1-thiophen-2-yl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-c]isoquinolin-5-one is Cn1nc(-c2cccs2)c2c3c(c(=O)[nH]c21)CCCC3.
What is the InChIKey of 3-methyl-1-thiophen-2-yl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-c]isoquinolin-5-one?
The InChIKey is CYNIHFHYXZPNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-18-14-12(13(17-18)11-7-4-8-20-11)9-5-2-3-6-10(9)15(19)16-14/h4,7-8H,2-3,5-6H2,1H3,(H,16,19).
What are the key properties of 3-methyl-1-thiophen-2-yl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-c]isoquinolin-5-one?
3-methyl-1-thiophen-2-yl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-c]isoquinolin-5-one has a molecular weight of 285.37 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-thiophen-2-yl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-c]isoquinolin-5-one is sourced from PubChem (CID 135875703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).