1-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2H-quinoxaline

C21H17F3N4 — CID 174976483

IUPAC1-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2H-quinoxaline
SMILESFC(F)(F)c1cc(C2CC2)n(-c2ccc(N3CC=Nc4ccccc43)cc2)n1
InChIInChI=1S/C21H17F3N4/c22-21(23,24)20-13-19(14-5-6-14)28(26-20)16-9-7-15(8-10-16)27-12-11-25-17-3-1-2-4-18(17)27/h1-4,7-11,13-14H,5-6,12H2
InChIKeyUCRQEBAJHWAFGE-UHFFFAOYSA-N
MW382.39 g/mol
LogP5.62
Rot. Bonds3

About 1-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2H-quinoxaline

1-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2H-quinoxaline (PubChem CID 174976483) has the molecular formula C21H17F3N4 and a molecular weight of 382.39 g/mol. Its IUPAC name is 1-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2H-quinoxaline.

Molecular Properties

Compound Name1-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2H-quinoxaline
PubChem CID174976483
Molecular FormulaC21H17F3N4
Molecular Weight382.39 g/mol
Exact Mass382.14
IUPAC Name1-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2H-quinoxaline
SMILESFC(F)(F)c1cc(C2CC2)n(-c2ccc(N3CC=Nc4ccccc43)cc2)n1
InChIInChI=1S/C21H17F3N4/c22-21(23,24)20-13-19(14-5-6-14)28(26-20)16-9-7-15(8-10-16)27-12-11-25-17-3-1-2-4-18(17)27/h1-4,7-11,13-14H,5-6,12H2
InChIKeyUCRQEBAJHWAFGE-UHFFFAOYSA-N
XLogP5.62
TPSA33.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.39
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2H-quinoxaline?
The IUPAC name of 1-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2H-quinoxaline (CID 174976483) is 1-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2H-quinoxaline.
What is the SMILES notation for 1-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2H-quinoxaline?
The canonical SMILES for 1-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2H-quinoxaline is FC(F)(F)c1cc(C2CC2)n(-c2ccc(N3CC=Nc4ccccc43)cc2)n1.
What is the InChIKey of 1-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2H-quinoxaline?
The InChIKey is UCRQEBAJHWAFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N4/c22-21(23,24)20-13-19(14-5-6-14)28(26-20)16-9-7-15(8-10-16)27-12-11-25-17-3-1-2-4-18(17)27/h1-4,7-11,13-14H,5-6,12H2.
What are the key properties of 1-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2H-quinoxaline?
1-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2H-quinoxaline has a molecular weight of 382.39 g/mol, XLogP of 5.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-2H-quinoxaline is sourced from PubChem (CID 174976483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).