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

C18H19F3N2 — CID 139093196

IUPAC5,6-dipropyl-2-(trifluoromethyl)pyrazolo[5,1-a]isoquinoline
SMILESCCCc1c(CCC)n2nc(C(F)(F)F)cc2c2ccccc12
InChIInChI=1S/C18H19F3N2/c1-3-7-13-12-9-5-6-10-14(12)16-11-17(18(19,20)21)22-23(16)15(13)8-4-2/h5-6,9-11H,3-4,7-8H2,1-2H3
InChIKeyNCFDBHARDOXRBD-UHFFFAOYSA-N
MW320.36 g/mol
LogP5.41
Rot. Bonds4

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

5,6-dipropyl-2-(trifluoromethyl)pyrazolo[5,1-a]isoquinoline (PubChem CID 139093196) has the molecular formula C18H19F3N2 and a molecular weight of 320.36 g/mol. Its IUPAC name is 5,6-dipropyl-2-(trifluoromethyl)pyrazolo[5,1-a]isoquinoline.

Molecular Properties

Compound Name5,6-dipropyl-2-(trifluoromethyl)pyrazolo[5,1-a]isoquinoline
PubChem CID139093196
Molecular FormulaC18H19F3N2
Molecular Weight320.36 g/mol
Exact Mass320.15
IUPAC Name5,6-dipropyl-2-(trifluoromethyl)pyrazolo[5,1-a]isoquinoline
SMILESCCCc1c(CCC)n2nc(C(F)(F)F)cc2c2ccccc12
InChIInChI=1S/C18H19F3N2/c1-3-7-13-12-9-5-6-10-14(12)16-11-17(18(19,20)21)22-23(16)15(13)8-4-2/h5-6,9-11H,3-4,7-8H2,1-2H3
InChIKeyNCFDBHARDOXRBD-UHFFFAOYSA-N
XLogP5.41
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.36
LogP ≤ 55.41
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
1,4,5,7-Tetramethyl-6-(4-methylphenyl)pyrrolo[3,4-d]pyridazine
CID 921199
6-(3,4-dimethylphenyl)-1,4,5,7-tetramethyl-6H-pyrrolo[3,4-d]pyridazine
CID 804001
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
6-(3,5-dimethylphenyl)-1,4,5,7-tetramethyl-6H-pyrrolo[3,4-d]pyridazine
CID 946260
6-Fluoro-4-methyl-1-o-tolyl-2,3-dihydro-1H-pyrrolo[3,2-c]quinoline
CID 44366398
2H-Indazole, 3-(1-methylethyl)-2-phenyl-
CID 327677
3-phenyl-2-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-2H-indazole
CID 16739355
4-(4-Methylphenyl)-1,3-diphenylpyrazolo[4,5-c]quinoline
CID 145966969
1,3,4-Triphenylpyrazolo[4,5-c]quinoline
CID 145972160

Frequently Asked Questions

What is the IUPAC name of 5,6-dipropyl-2-(trifluoromethyl)pyrazolo[5,1-a]isoquinoline?
The IUPAC name of 5,6-dipropyl-2-(trifluoromethyl)pyrazolo[5,1-a]isoquinoline (CID 139093196) is 5,6-dipropyl-2-(trifluoromethyl)pyrazolo[5,1-a]isoquinoline.
What is the SMILES notation for 5,6-dipropyl-2-(trifluoromethyl)pyrazolo[5,1-a]isoquinoline?
The canonical SMILES for 5,6-dipropyl-2-(trifluoromethyl)pyrazolo[5,1-a]isoquinoline is CCCc1c(CCC)n2nc(C(F)(F)F)cc2c2ccccc12.
What is the InChIKey of 5,6-dipropyl-2-(trifluoromethyl)pyrazolo[5,1-a]isoquinoline?
The InChIKey is NCFDBHARDOXRBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2/c1-3-7-13-12-9-5-6-10-14(12)16-11-17(18(19,20)21)22-23(16)15(13)8-4-2/h5-6,9-11H,3-4,7-8H2,1-2H3.
What are the key properties of 5,6-dipropyl-2-(trifluoromethyl)pyrazolo[5,1-a]isoquinoline?
5,6-dipropyl-2-(trifluoromethyl)pyrazolo[5,1-a]isoquinoline has a molecular weight of 320.36 g/mol, XLogP of 5.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dipropyl-2-(trifluoromethyl)pyrazolo[5,1-a]isoquinoline is sourced from PubChem (CID 139093196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).