5,5-dimethyl-4,4-bis(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinoline

C17H16F6N2 — CID 137489995

IUPAC5,5-dimethyl-4,4-bis(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinoline
SMILESCC1(C)c2ccccc2-n2nccc2C1(CC(F)(F)F)CC(F)(F)F
InChIInChI=1S/C17H16F6N2/c1-14(2)11-5-3-4-6-12(11)25-13(7-8-24-25)15(14,9-16(18,19)20)10-17(21,22)23/h3-8H,9-10H2,1-2H3
InChIKeyLNMZHNAGMAZTTO-UHFFFAOYSA-N
MW362.32 g/mol
LogP5.31
Rot. Bonds2

About 5,5-dimethyl-4,4-bis(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinoline

5,5-dimethyl-4,4-bis(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinoline (PubChem CID 137489995) has the molecular formula C17H16F6N2 and a molecular weight of 362.32 g/mol. Its IUPAC name is 5,5-dimethyl-4,4-bis(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinoline.

Molecular Properties

Compound Name5,5-dimethyl-4,4-bis(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinoline
PubChem CID137489995
Molecular FormulaC17H16F6N2
Molecular Weight362.32 g/mol
Exact Mass362.12
IUPAC Name5,5-dimethyl-4,4-bis(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinoline
SMILESCC1(C)c2ccccc2-n2nccc2C1(CC(F)(F)F)CC(F)(F)F
InChIInChI=1S/C17H16F6N2/c1-14(2)11-5-3-4-6-12(11)25-13(7-8-24-25)15(14,9-16(18,19)20)10-17(21,22)23/h3-8H,9-10H2,1-2H3
InChIKeyLNMZHNAGMAZTTO-UHFFFAOYSA-N
XLogP5.31
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.32
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-4,4-bis(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinoline?
The IUPAC name of 5,5-dimethyl-4,4-bis(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinoline (CID 137489995) is 5,5-dimethyl-4,4-bis(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinoline.
What is the SMILES notation for 5,5-dimethyl-4,4-bis(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinoline?
The canonical SMILES for 5,5-dimethyl-4,4-bis(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinoline is CC1(C)c2ccccc2-n2nccc2C1(CC(F)(F)F)CC(F)(F)F.
What is the InChIKey of 5,5-dimethyl-4,4-bis(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinoline?
The InChIKey is LNMZHNAGMAZTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F6N2/c1-14(2)11-5-3-4-6-12(11)25-13(7-8-24-25)15(14,9-16(18,19)20)10-17(21,22)23/h3-8H,9-10H2,1-2H3.
What are the key properties of 5,5-dimethyl-4,4-bis(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinoline?
5,5-dimethyl-4,4-bis(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinoline has a molecular weight of 362.32 g/mol, XLogP of 5.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-4,4-bis(2,2,2-trifluoroethyl)pyrazolo[1,5-a]quinoline is sourced from PubChem (CID 137489995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).