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

C17H17N3O — CID 135875704

IUPAC1-methyl-3-phenyl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-c]isoquinolin-5-one
SMILESCc1nn(-c2ccccc2)c2[nH]c(=O)c3c(c12)CCCC3
InChIInChI=1S/C17H17N3O/c1-11-15-13-9-5-6-10-14(13)17(21)18-16(15)20(19-11)12-7-3-2-4-8-12/h2-4,7-8H,5-6,9-10H2,1H3,(H,18,21)
InChIKeyFICAZDAXYXJREF-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.90
Rot. Bonds1

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

1-methyl-3-phenyl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-c]isoquinolin-5-one (PubChem CID 135875704) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-methyl-3-phenyl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-c]isoquinolin-5-one.

Molecular Properties

Compound Name1-methyl-3-phenyl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-c]isoquinolin-5-one
PubChem CID135875704
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name1-methyl-3-phenyl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-c]isoquinolin-5-one
SMILESCc1nn(-c2ccccc2)c2[nH]c(=O)c3c(c12)CCCC3
InChIInChI=1S/C17H17N3O/c1-11-15-13-9-5-6-10-14(13)17(21)18-16(15)20(19-11)12-7-3-2-4-8-12/h2-4,7-8H,5-6,9-10H2,1H3,(H,18,21)
InChIKeyFICAZDAXYXJREF-UHFFFAOYSA-N
XLogP2.90
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-2-(3-methyl-5-((4-methylphenyl)amino)-1H-pyrazol-1-yl)-1,4-dihydropyrimidin-4-one
CID 135415440
3-cyano-N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide
CID 11245456
N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide
CID 4156919
4-cyano-N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide
CID 11574130
N-(1-methyl-3-phenylpyrazol-5-yl)benzamide
CID 2814962
2-methyl-4H,5H-pyrazolo[1,5-a]quinazolin-5-one
CID 135512367
2-Methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-ol
CID 135459218
N-[1-(3-fluorophenyl)-3-methyl-1H-pyrazol-5-yl]-2-methylbenzamide
CID 1508258
1,4-dimethyl-3-phenyl-1H-pyrazolo[3,4-b]pyridin-6-ol
CID 135418904
n-(1,3-Diphenyl-1h-pyrazol-5-yl)-4-fluorobenzamide
CID 11164167
1-Phenyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine-6-ol
CID 135491988
2-chloro-N-[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-5-yl]acetamide
CID 2453580

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-phenyl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-c]isoquinolin-5-one?
The IUPAC name of 1-methyl-3-phenyl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-c]isoquinolin-5-one (CID 135875704) is 1-methyl-3-phenyl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-c]isoquinolin-5-one.
What is the SMILES notation for 1-methyl-3-phenyl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-c]isoquinolin-5-one?
The canonical SMILES for 1-methyl-3-phenyl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-c]isoquinolin-5-one is Cc1nn(-c2ccccc2)c2[nH]c(=O)c3c(c12)CCCC3.
What is the InChIKey of 1-methyl-3-phenyl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-c]isoquinolin-5-one?
The InChIKey is FICAZDAXYXJREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-11-15-13-9-5-6-10-14(13)17(21)18-16(15)20(19-11)12-7-3-2-4-8-12/h2-4,7-8H,5-6,9-10H2,1H3,(H,18,21).
What are the key properties of 1-methyl-3-phenyl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-c]isoquinolin-5-one?
1-methyl-3-phenyl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-c]isoquinolin-5-one has a molecular weight of 279.34 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-phenyl-6,7,8,9-tetrahydro-4H-pyrazolo[5,4-c]isoquinolin-5-one is sourced from PubChem (CID 135875704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).