6-methyl-5-phenyl-2-(trifluoromethyl)pyrazolo[5,1-a]isoquinoline

C19H13F3N2 — CID 139093192

IUPAC6-methyl-5-phenyl-2-(trifluoromethyl)pyrazolo[5,1-a]isoquinoline
SMILESCc1c(-c2ccccc2)n2nc(C(F)(F)F)cc2c2ccccc12
InChIInChI=1S/C19H13F3N2/c1-12-14-9-5-6-10-15(14)16-11-17(19(20,21)22)23-24(16)18(12)13-7-3-2-4-8-13/h2-11H,1H3
InChIKeyAWMISEXWZNRUJW-UHFFFAOYSA-N
MW326.32 g/mol
LogP5.48
Rot. Bonds1

About 6-methyl-5-phenyl-2-(trifluoromethyl)pyrazolo[5,1-a]isoquinoline

6-methyl-5-phenyl-2-(trifluoromethyl)pyrazolo[5,1-a]isoquinoline (PubChem CID 139093192) has the molecular formula C19H13F3N2 and a molecular weight of 326.32 g/mol. Its IUPAC name is 6-methyl-5-phenyl-2-(trifluoromethyl)pyrazolo[5,1-a]isoquinoline.

Molecular Properties

Compound Name6-methyl-5-phenyl-2-(trifluoromethyl)pyrazolo[5,1-a]isoquinoline
PubChem CID139093192
Molecular FormulaC19H13F3N2
Molecular Weight326.32 g/mol
Exact Mass326.10
IUPAC Name6-methyl-5-phenyl-2-(trifluoromethyl)pyrazolo[5,1-a]isoquinoline
SMILESCc1c(-c2ccccc2)n2nc(C(F)(F)F)cc2c2ccccc12
InChIInChI=1S/C19H13F3N2/c1-12-14-9-5-6-10-15(14)16-11-17(19(20,21)22)23-24(16)18(12)13-7-3-2-4-8-13/h2-11H,1H3
InChIKeyAWMISEXWZNRUJW-UHFFFAOYSA-N
XLogP5.48
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.32
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,4,5,7-tetramethyl-6-phenyl-6H-pyrrolo[3,4-d]pyridazine
CID 4874234
2-Phenyl-2H-pyrazolo[4,3-c]quinoline
CID 11470612
1,4,5,7-Tetramethyl-6-(4-methylphenyl)pyrrolo[3,4-d]pyridazine
CID 921199
1,5-Diphenyl-3-trifluoromethyl-1H-pyrazole
CID 10424186
6-(3,4-dimethylphenyl)-1,4,5,7-tetramethyl-6H-pyrrolo[3,4-d]pyridazine
CID 804001
2-(4-Fluorophenyl)-7-methyl-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine
CID 9836051
2-methyl-4-pyrazolo[1,5-a]pyridin-6-yl-3,4-dihydro-1H-isoquinoline
CID 11594137
3,7-Dimethyl-5-pentan-3-yl-2-(2,4,5-trimethylphenyl)pyrrolo[1,2-b]pyridazine
CID 24758071
2-(2,4-Dimethylphenyl)-3,7-dimethyl-5-pentan-3-ylpyrrolo[1,2-b]pyridazine
CID 24758072
1-(2-Methylphenyl)-4-methyl-2,3-dihydropyrrolo[3,2-c]quinoline
CID 44366622
1-(2-fluorophenyl)-4,6-dimethyl-2,3-dihydro-1H-pyrrolo[3,2-c]quinoline
CID 2816010
1-Ethyl-2-phenylpyrrolo[3,2-c]cinnoline
CID 12908783

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-phenyl-2-(trifluoromethyl)pyrazolo[5,1-a]isoquinoline?
The IUPAC name of 6-methyl-5-phenyl-2-(trifluoromethyl)pyrazolo[5,1-a]isoquinoline (CID 139093192) is 6-methyl-5-phenyl-2-(trifluoromethyl)pyrazolo[5,1-a]isoquinoline.
What is the SMILES notation for 6-methyl-5-phenyl-2-(trifluoromethyl)pyrazolo[5,1-a]isoquinoline?
The canonical SMILES for 6-methyl-5-phenyl-2-(trifluoromethyl)pyrazolo[5,1-a]isoquinoline is Cc1c(-c2ccccc2)n2nc(C(F)(F)F)cc2c2ccccc12.
What is the InChIKey of 6-methyl-5-phenyl-2-(trifluoromethyl)pyrazolo[5,1-a]isoquinoline?
The InChIKey is AWMISEXWZNRUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N2/c1-12-14-9-5-6-10-15(14)16-11-17(19(20,21)22)23-24(16)18(12)13-7-3-2-4-8-13/h2-11H,1H3.
What are the key properties of 6-methyl-5-phenyl-2-(trifluoromethyl)pyrazolo[5,1-a]isoquinoline?
6-methyl-5-phenyl-2-(trifluoromethyl)pyrazolo[5,1-a]isoquinoline has a molecular weight of 326.32 g/mol, XLogP of 5.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-phenyl-2-(trifluoromethyl)pyrazolo[5,1-a]isoquinoline is sourced from PubChem (CID 139093192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).