6-(5-methyl-1H-pyrazol-4-yl)-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoline

C24H22F3N5 — CID 22031946

IUPAC6-(5-methyl-1H-pyrazol-4-yl)-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoline
SMILESCc1[nH]ncc1-c1ccc2nccc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)c2c1
InChIInChI=1S/C24H22F3N5/c1-16-21(15-29-30-16)17-5-6-22-20(13-17)23(7-8-28-22)32-11-9-31(10-12-32)19-4-2-3-18(14-19)24(25,26)27/h2-8,13-15H,9-12H2,1H3,(H,29,30)
InChIKeyOUMDUESKIAAKFI-UHFFFAOYSA-N
MW437.47 g/mol
LogP5.28
Rot. Bonds3

About 6-(5-methyl-1H-pyrazol-4-yl)-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoline

6-(5-methyl-1H-pyrazol-4-yl)-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoline (PubChem CID 22031946) has the molecular formula C24H22F3N5 and a molecular weight of 437.47 g/mol. Its IUPAC name is 6-(5-methyl-1H-pyrazol-4-yl)-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoline.

Molecular Properties

Compound Name6-(5-methyl-1H-pyrazol-4-yl)-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoline
PubChem CID22031946
Molecular FormulaC24H22F3N5
Molecular Weight437.47 g/mol
Exact Mass437.18
IUPAC Name6-(5-methyl-1H-pyrazol-4-yl)-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoline
SMILESCc1[nH]ncc1-c1ccc2nccc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)c2c1
InChIInChI=1S/C24H22F3N5/c1-16-21(15-29-30-16)17-5-6-22-20(13-17)23(7-8-28-22)32-11-9-31(10-12-32)19-4-2-3-18(14-19)24(25,26)27/h2-8,13-15H,9-12H2,1H3,(H,29,30)
InChIKeyOUMDUESKIAAKFI-UHFFFAOYSA-N
XLogP5.28
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.47
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6-(5-methyl-1H-pyrazol-4-yl)-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoline?
The IUPAC name of 6-(5-methyl-1H-pyrazol-4-yl)-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoline (CID 22031946) is 6-(5-methyl-1H-pyrazol-4-yl)-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoline.
What is the SMILES notation for 6-(5-methyl-1H-pyrazol-4-yl)-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoline?
The canonical SMILES for 6-(5-methyl-1H-pyrazol-4-yl)-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoline is Cc1[nH]ncc1-c1ccc2nccc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)c2c1.
What is the InChIKey of 6-(5-methyl-1H-pyrazol-4-yl)-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoline?
The InChIKey is OUMDUESKIAAKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N5/c1-16-21(15-29-30-16)17-5-6-22-20(13-17)23(7-8-28-22)32-11-9-31(10-12-32)19-4-2-3-18(14-19)24(25,26)27/h2-8,13-15H,9-12H2,1H3,(H,29,30).
What are the key properties of 6-(5-methyl-1H-pyrazol-4-yl)-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoline?
6-(5-methyl-1H-pyrazol-4-yl)-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoline has a molecular weight of 437.47 g/mol, XLogP of 5.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-methyl-1H-pyrazol-4-yl)-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoline is sourced from PubChem (CID 22031946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).