4-(1-phenylpyrazol-4-yl)-7-(trifluoromethyl)quinoline

C19H12F3N3 — CID 70694003

IUPAC4-(1-phenylpyrazol-4-yl)-7-(trifluoromethyl)quinoline
SMILESFC(F)(F)c1ccc2c(-c3cnn(-c4ccccc4)c3)ccnc2c1
InChIInChI=1S/C19H12F3N3/c20-19(21,22)14-6-7-17-16(8-9-23-18(17)10-14)13-11-24-25(12-13)15-4-2-1-3-5-15/h1-12H
InChIKeyYBGJGTRWDKTGRJ-UHFFFAOYSA-N
MW339.32 g/mol
LogP5.11
Rot. Bonds2

About 4-(1-phenylpyrazol-4-yl)-7-(trifluoromethyl)quinoline

4-(1-phenylpyrazol-4-yl)-7-(trifluoromethyl)quinoline (PubChem CID 70694003) has the molecular formula C19H12F3N3 and a molecular weight of 339.32 g/mol. Its IUPAC name is 4-(1-phenylpyrazol-4-yl)-7-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name4-(1-phenylpyrazol-4-yl)-7-(trifluoromethyl)quinoline
PubChem CID70694003
Molecular FormulaC19H12F3N3
Molecular Weight339.32 g/mol
Exact Mass339.10
IUPAC Name4-(1-phenylpyrazol-4-yl)-7-(trifluoromethyl)quinoline
SMILESFC(F)(F)c1ccc2c(-c3cnn(-c4ccccc4)c3)ccnc2c1
InChIInChI=1S/C19H12F3N3/c20-19(21,22)14-6-7-17-16(8-9-23-18(17)10-14)13-11-24-25(12-13)15-4-2-1-3-5-15/h1-12H
InChIKeyYBGJGTRWDKTGRJ-UHFFFAOYSA-N
XLogP5.11
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.32
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-phenylpyrazol-4-yl)-7-(trifluoromethyl)quinoline?
The IUPAC name of 4-(1-phenylpyrazol-4-yl)-7-(trifluoromethyl)quinoline (CID 70694003) is 4-(1-phenylpyrazol-4-yl)-7-(trifluoromethyl)quinoline.
What is the SMILES notation for 4-(1-phenylpyrazol-4-yl)-7-(trifluoromethyl)quinoline?
The canonical SMILES for 4-(1-phenylpyrazol-4-yl)-7-(trifluoromethyl)quinoline is FC(F)(F)c1ccc2c(-c3cnn(-c4ccccc4)c3)ccnc2c1.
What is the InChIKey of 4-(1-phenylpyrazol-4-yl)-7-(trifluoromethyl)quinoline?
The InChIKey is YBGJGTRWDKTGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F3N3/c20-19(21,22)14-6-7-17-16(8-9-23-18(17)10-14)13-11-24-25(12-13)15-4-2-1-3-5-15/h1-12H.
What are the key properties of 4-(1-phenylpyrazol-4-yl)-7-(trifluoromethyl)quinoline?
4-(1-phenylpyrazol-4-yl)-7-(trifluoromethyl)quinoline has a molecular weight of 339.32 g/mol, XLogP of 5.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-phenylpyrazol-4-yl)-7-(trifluoromethyl)quinoline is sourced from PubChem (CID 70694003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).