LZCLIMRJNCRQJF-UHFFFAOYSA-N

Name: LZCLIMRJNCRQJF-UHFFFAOYSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₄H₁₇BrF₆N₄O — CID 118172221

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC6-bromo-N-[5-methyl-1-(1-phenylethyl)-3-(trifluoromethyl)pyrazol-4-yl]-2-(trifluoromethyl)quinoline-4-carboxamide

SMILESCc1c(NC(=O)c2cc(C(F)(F)F)nc3ccc(Br)cc23)c(C(F)(F)F)nn1C(C)c1ccccc1

InChIInChI=1S/C24H17BrF6N4O/c1-12(14-6-4-3-5-7-14)35-13(2)20(21(34-35)24(29,30)31)33-22(36)17-11-19(23(26,27)28)32-18-9-8-15(25)10-16(17)18/h3-12H,1-2H3,(H,33,36)

InChIKeyLZCLIMRJNCRQJF-UHFFFAOYSA-N

MW571.32 g/mol

LogP7.40

Rot. Bonds4

About LZCLIMRJNCRQJF-UHFFFAOYSA-N

LZCLIMRJNCRQJF-UHFFFAOYSA-N (PubChem CID 118172221) has the molecular formula C₂₄H₁₇BrF₆N₄O and a molecular weight of 571.32 g/mol. Its IUPAC name is 6-bromo-N-[5-methyl-1-(1-phenylethyl)-3-(trifluoromethyl)pyrazol-4-yl]-2-(trifluoromethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name	LZCLIMRJNCRQJF-UHFFFAOYSA-N
PubChem CID	118172221
Molecular Formula	C₂₄H₁₇BrF₆N₄O
Molecular Weight	571.32 g/mol
Exact Mass	570.05
IUPAC Name	6-bromo-N-[5-methyl-1-(1-phenylethyl)-3-(trifluoromethyl)pyrazol-4-yl]-2-(trifluoromethyl)quinoline-4-carboxamide
SMILES	Cc1c(NC(=O)c2cc(C(F)(F)F)nc3ccc(Br)cc23)c(C(F)(F)F)nn1C(C)c1ccccc1
InChI	InChI=1S/C24H17BrF6N4O/c1-12(14-6-4-3-5-7-14)35-13(2)20(21(34-35)24(29,30)31)33-22(36)17-11-19(23(26,27)28)32-18-9-8-15(25)10-16(17)18/h3-12H,1-2H3,(H,33,36)
InChIKey	LZCLIMRJNCRQJF-UHFFFAOYSA-N
XLogP	7.40
TPSA	59.81 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	4
Heavy Atoms	36
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	571.32
LogP ≤ 5	7.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of LZCLIMRJNCRQJF-UHFFFAOYSA-N?

The IUPAC name of LZCLIMRJNCRQJF-UHFFFAOYSA-N (CID 118172221) is 6-bromo-N-[5-methyl-1-(1-phenylethyl)-3-(trifluoromethyl)pyrazol-4-yl]-2-(trifluoromethyl)quinoline-4-carboxamide.

What is the SMILES notation for LZCLIMRJNCRQJF-UHFFFAOYSA-N?

The canonical SMILES for LZCLIMRJNCRQJF-UHFFFAOYSA-N is Cc1c(NC(=O)c2cc(C(F)(F)F)nc3ccc(Br)cc23)c(C(F)(F)F)nn1C(C)c1ccccc1.

What is the InChIKey of LZCLIMRJNCRQJF-UHFFFAOYSA-N?

The InChIKey is LZCLIMRJNCRQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17BrF6N4O/c1-12(14-6-4-3-5-7-14)35-13(2)20(21(34-35)24(29,30)31)33-22(36)17-11-19(23(26,27)28)32-18-9-8-15(25)10-16(17)18/h3-12H,1-2H3,(H,33,36).

What are the key properties of LZCLIMRJNCRQJF-UHFFFAOYSA-N?

LZCLIMRJNCRQJF-UHFFFAOYSA-N has a molecular weight of 571.32 g/mol, XLogP of 7.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for LZCLIMRJNCRQJF-UHFFFAOYSA-N is sourced from PubChem (CID 118172221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 118172221 — identifiers, structure, computed properties (public domain)

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