4-[4-[[2-(2-chloro-6-methylphenyl)-5-(trifluoromethyl)-1,5-dihydropyrazol-3-yl]methoxy]phenyl]-1H-indole

C26H21ClF3N3O — CID 71094384

IUPAC4-[4-[[2-(2-chloro-6-methylphenyl)-5-(trifluoromethyl)-1,5-dihydropyrazol-3-yl]methoxy]phenyl]-1H-indole
SMILESCc1cccc(Cl)c1N1NC(C(F)(F)F)C=C1COc1ccc(-c2cccc3[nH]ccc23)cc1
InChIInChI=1S/C26H21ClF3N3O/c1-16-4-2-6-22(27)25(16)33-18(14-24(32-33)26(28,29)30)15-34-19-10-8-17(9-11-19)20-5-3-7-23-21(20)12-13-31-23/h2-14,24,31-32H,15H2,1H3
InChIKeyCCSIMGIXCVGCGQ-UHFFFAOYSA-N
MW483.92 g/mol
LogP7.02
Rot. Bonds5

About 4-[4-[[2-(2-chloro-6-methylphenyl)-5-(trifluoromethyl)-1,5-dihydropyrazol-3-yl]methoxy]phenyl]-1H-indole

4-[4-[[2-(2-chloro-6-methylphenyl)-5-(trifluoromethyl)-1,5-dihydropyrazol-3-yl]methoxy]phenyl]-1H-indole (PubChem CID 71094384) has the molecular formula C26H21ClF3N3O and a molecular weight of 483.92 g/mol. Its IUPAC name is 4-[4-[[2-(2-chloro-6-methylphenyl)-5-(trifluoromethyl)-1,5-dihydropyrazol-3-yl]methoxy]phenyl]-1H-indole.

Molecular Properties

Compound Name4-[4-[[2-(2-chloro-6-methylphenyl)-5-(trifluoromethyl)-1,5-dihydropyrazol-3-yl]methoxy]phenyl]-1H-indole
PubChem CID71094384
Molecular FormulaC26H21ClF3N3O
Molecular Weight483.92 g/mol
Exact Mass483.13
IUPAC Name4-[4-[[2-(2-chloro-6-methylphenyl)-5-(trifluoromethyl)-1,5-dihydropyrazol-3-yl]methoxy]phenyl]-1H-indole
SMILESCc1cccc(Cl)c1N1NC(C(F)(F)F)C=C1COc1ccc(-c2cccc3[nH]ccc23)cc1
InChIInChI=1S/C26H21ClF3N3O/c1-16-4-2-6-22(27)25(16)33-18(14-24(32-33)26(28,29)30)15-34-19-10-8-17(9-11-19)20-5-3-7-23-21(20)12-13-31-23/h2-14,24,31-32H,15H2,1H3
InChIKeyCCSIMGIXCVGCGQ-UHFFFAOYSA-N
XLogP7.02
TPSA40.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.92
LogP ≤ 57.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[4-[[2-(2-chloro-6-methylphenyl)-5-(trifluoromethyl)-1,5-dihydropyrazol-3-yl]methoxy]phenyl]-1H-indole with MolForge

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Related Compounds

[3-(3-Chloro-phenoxy)-propyl]-propyl-(6,7,8,9-tetrahydro-3H-benzo[e]indol-8-yl)-amine
CID 10475893
3-[1-[2-[2-(4-chlorophenyl)-4-fluorophenoxy]ethyl]piperidin-4-yl]-5-fluoro-1H-indole
CID 155533082
1-(5-chloro-1H-indol-3-yl)-2-methyl-N-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl]propan-2-amine
CID 15289626
1-(5-chloro-1H-indol-3-yl)-2-methyl-N-[2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl]propan-2-amine;hydrochloride
CID 19919979
N-(2-(6-Chloro-1H-indol-3-yl)ethyl)-N-isopropyl-3-(2,2,3,3,3-pentafluoropropoxy)benzylamine
CID 21071652
5-[4-[[2-(2,6-dichlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]methoxy]phenyl]-1H-indole
CID 57458721
4-[4-[[2-(2,6-dichlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]methoxy]phenyl]-1H-indole
CID 57458723
2-(5-chloro-1H-indol-3-yl)-N-[[3-(2,2,3,3-tetrafluoropropoxy)phenyl]methyl]ethanamine
CID 58779115
5-[4-[[2-(2-chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]methoxy]phenyl]-1H-indole
CID 59240464
[3-chloro-4-(4-propan-2-yloxyphenyl)-5-[5-(trifluoromethyl)-2-pyridinyl]-1H-indol-2-yl]methanol
CID 69493840
2-(5-chloro-1H-indol-3-yl)-N-[[3-(3-fluoropropoxy)phenyl]methyl]ethanamine
CID 69616812
2-(4-phenyl-1H-indol-3-yl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]ethanamine
CID 69616856

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[2-(2-chloro-6-methylphenyl)-5-(trifluoromethyl)-1,5-dihydropyrazol-3-yl]methoxy]phenyl]-1H-indole?
The IUPAC name of 4-[4-[[2-(2-chloro-6-methylphenyl)-5-(trifluoromethyl)-1,5-dihydropyrazol-3-yl]methoxy]phenyl]-1H-indole (CID 71094384) is 4-[4-[[2-(2-chloro-6-methylphenyl)-5-(trifluoromethyl)-1,5-dihydropyrazol-3-yl]methoxy]phenyl]-1H-indole.
What is the SMILES notation for 4-[4-[[2-(2-chloro-6-methylphenyl)-5-(trifluoromethyl)-1,5-dihydropyrazol-3-yl]methoxy]phenyl]-1H-indole?
The canonical SMILES for 4-[4-[[2-(2-chloro-6-methylphenyl)-5-(trifluoromethyl)-1,5-dihydropyrazol-3-yl]methoxy]phenyl]-1H-indole is Cc1cccc(Cl)c1N1NC(C(F)(F)F)C=C1COc1ccc(-c2cccc3[nH]ccc23)cc1.
What is the InChIKey of 4-[4-[[2-(2-chloro-6-methylphenyl)-5-(trifluoromethyl)-1,5-dihydropyrazol-3-yl]methoxy]phenyl]-1H-indole?
The InChIKey is CCSIMGIXCVGCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClF3N3O/c1-16-4-2-6-22(27)25(16)33-18(14-24(32-33)26(28,29)30)15-34-19-10-8-17(9-11-19)20-5-3-7-23-21(20)12-13-31-23/h2-14,24,31-32H,15H2,1H3.
What are the key properties of 4-[4-[[2-(2-chloro-6-methylphenyl)-5-(trifluoromethyl)-1,5-dihydropyrazol-3-yl]methoxy]phenyl]-1H-indole?
4-[4-[[2-(2-chloro-6-methylphenyl)-5-(trifluoromethyl)-1,5-dihydropyrazol-3-yl]methoxy]phenyl]-1H-indole has a molecular weight of 483.92 g/mol, XLogP of 7.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[2-(2-chloro-6-methylphenyl)-5-(trifluoromethyl)-1,5-dihydropyrazol-3-yl]methoxy]phenyl]-1H-indole is sourced from PubChem (CID 71094384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).