5-methyl-6-propan-2-yl-2-(trifluoromethyl)-4H-pyrazolo[1,5-a]quinoxaline

C15H16F3N3 — CID 174194995

IUPAC5-methyl-6-propan-2-yl-2-(trifluoromethyl)-4H-pyrazolo[1,5-a]quinoxaline
SMILESCC(C)c1cccc2c1N(C)Cc1cc(C(F)(F)F)nn1-2
InChIInChI=1S/C15H16F3N3/c1-9(2)11-5-4-6-12-14(11)20(3)8-10-7-13(15(16,17)18)19-21(10)12/h4-7,9H,8H2,1-3H3
InChIKeyRTHSLOLQDNAMNH-UHFFFAOYSA-N
MW295.31 g/mol
LogP3.96
Rot. Bonds1

About 5-methyl-6-propan-2-yl-2-(trifluoromethyl)-4H-pyrazolo[1,5-a]quinoxaline

5-methyl-6-propan-2-yl-2-(trifluoromethyl)-4H-pyrazolo[1,5-a]quinoxaline (PubChem CID 174194995) has the molecular formula C15H16F3N3 and a molecular weight of 295.31 g/mol. Its IUPAC name is 5-methyl-6-propan-2-yl-2-(trifluoromethyl)-4H-pyrazolo[1,5-a]quinoxaline.

Molecular Properties

Compound Name5-methyl-6-propan-2-yl-2-(trifluoromethyl)-4H-pyrazolo[1,5-a]quinoxaline
PubChem CID174194995
Molecular FormulaC15H16F3N3
Molecular Weight295.31 g/mol
Exact Mass295.13
IUPAC Name5-methyl-6-propan-2-yl-2-(trifluoromethyl)-4H-pyrazolo[1,5-a]quinoxaline
SMILESCC(C)c1cccc2c1N(C)Cc1cc(C(F)(F)F)nn1-2
InChIInChI=1S/C15H16F3N3/c1-9(2)11-5-4-6-12-14(11)20(3)8-10-7-13(15(16,17)18)19-21(10)12/h4-7,9H,8H2,1-3H3
InChIKeyRTHSLOLQDNAMNH-UHFFFAOYSA-N
XLogP3.96
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-propan-2-yl-2-(trifluoromethyl)-4H-pyrazolo[1,5-a]quinoxaline?
The IUPAC name of 5-methyl-6-propan-2-yl-2-(trifluoromethyl)-4H-pyrazolo[1,5-a]quinoxaline (CID 174194995) is 5-methyl-6-propan-2-yl-2-(trifluoromethyl)-4H-pyrazolo[1,5-a]quinoxaline.
What is the SMILES notation for 5-methyl-6-propan-2-yl-2-(trifluoromethyl)-4H-pyrazolo[1,5-a]quinoxaline?
The canonical SMILES for 5-methyl-6-propan-2-yl-2-(trifluoromethyl)-4H-pyrazolo[1,5-a]quinoxaline is CC(C)c1cccc2c1N(C)Cc1cc(C(F)(F)F)nn1-2.
What is the InChIKey of 5-methyl-6-propan-2-yl-2-(trifluoromethyl)-4H-pyrazolo[1,5-a]quinoxaline?
The InChIKey is RTHSLOLQDNAMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3/c1-9(2)11-5-4-6-12-14(11)20(3)8-10-7-13(15(16,17)18)19-21(10)12/h4-7,9H,8H2,1-3H3.
What are the key properties of 5-methyl-6-propan-2-yl-2-(trifluoromethyl)-4H-pyrazolo[1,5-a]quinoxaline?
5-methyl-6-propan-2-yl-2-(trifluoromethyl)-4H-pyrazolo[1,5-a]quinoxaline has a molecular weight of 295.31 g/mol, XLogP of 3.96, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-propan-2-yl-2-(trifluoromethyl)-4H-pyrazolo[1,5-a]quinoxaline is sourced from PubChem (CID 174194995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).