1-(2,2,2-trifluoroethyl)-5H-pyrazolo[4,5-c]quinolin-4-one

C12H8F3N3O — CID 154247460

IUPAC1-(2,2,2-trifluoroethyl)-5H-pyrazolo[4,5-c]quinolin-4-one
SMILESO=c1[nH]c2ccccc2c2c1cnn2CC(F)(F)F
InChIInChI=1S/C12H8F3N3O/c13-12(14,15)6-18-10-7-3-1-2-4-9(7)17-11(19)8(10)5-16-18/h1-5H,6H2,(H,17,19)
InChIKeyVYOYGQKQDJKOBK-UHFFFAOYSA-N
MW267.21 g/mol
LogP2.44
Rot. Bonds1

About 1-(2,2,2-trifluoroethyl)-5H-pyrazolo[4,5-c]quinolin-4-one

1-(2,2,2-trifluoroethyl)-5H-pyrazolo[4,5-c]quinolin-4-one (PubChem CID 154247460) has the molecular formula C12H8F3N3O and a molecular weight of 267.21 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethyl)-5H-pyrazolo[4,5-c]quinolin-4-one.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethyl)-5H-pyrazolo[4,5-c]quinolin-4-one
PubChem CID154247460
Molecular FormulaC12H8F3N3O
Molecular Weight267.21 g/mol
Exact Mass267.06
IUPAC Name1-(2,2,2-trifluoroethyl)-5H-pyrazolo[4,5-c]quinolin-4-one
SMILESO=c1[nH]c2ccccc2c2c1cnn2CC(F)(F)F
InChIInChI=1S/C12H8F3N3O/c13-12(14,15)6-18-10-7-3-1-2-4-9(7)17-11(19)8(10)5-16-18/h1-5H,6H2,(H,17,19)
InChIKeyVYOYGQKQDJKOBK-UHFFFAOYSA-N
XLogP2.44
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.21
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethyl)-5H-pyrazolo[4,5-c]quinolin-4-one?
The IUPAC name of 1-(2,2,2-trifluoroethyl)-5H-pyrazolo[4,5-c]quinolin-4-one (CID 154247460) is 1-(2,2,2-trifluoroethyl)-5H-pyrazolo[4,5-c]quinolin-4-one.
What is the SMILES notation for 1-(2,2,2-trifluoroethyl)-5H-pyrazolo[4,5-c]quinolin-4-one?
The canonical SMILES for 1-(2,2,2-trifluoroethyl)-5H-pyrazolo[4,5-c]quinolin-4-one is O=c1[nH]c2ccccc2c2c1cnn2CC(F)(F)F.
What is the InChIKey of 1-(2,2,2-trifluoroethyl)-5H-pyrazolo[4,5-c]quinolin-4-one?
The InChIKey is VYOYGQKQDJKOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3N3O/c13-12(14,15)6-18-10-7-3-1-2-4-9(7)17-11(19)8(10)5-16-18/h1-5H,6H2,(H,17,19).
What are the key properties of 1-(2,2,2-trifluoroethyl)-5H-pyrazolo[4,5-c]quinolin-4-one?
1-(2,2,2-trifluoroethyl)-5H-pyrazolo[4,5-c]quinolin-4-one has a molecular weight of 267.21 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethyl)-5H-pyrazolo[4,5-c]quinolin-4-one is sourced from PubChem (CID 154247460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).