2-(2,6-difluorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-indole

C19H12F5N3 — CID 51037308

IUPAC2-(2,6-difluorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-indole
SMILESCn1nc(C(F)(F)F)cc1-c1ccc2[nH]c(-c3c(F)cccc3F)cc2c1
InChIInChI=1S/C19H12F5N3/c1-27-16(9-17(26-27)19(22,23)24)10-5-6-14-11(7-10)8-15(25-14)18-12(20)3-2-4-13(18)21/h2-9,25H,1H3
InChIKeyOLQJNPSTJSEKCH-UHFFFAOYSA-N
MW377.32 g/mol
LogP5.53
Rot. Bonds2

About 2-(2,6-difluorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-indole

2-(2,6-difluorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-indole (PubChem CID 51037308) has the molecular formula C19H12F5N3 and a molecular weight of 377.32 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-indole.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-indole
PubChem CID51037308
Molecular FormulaC19H12F5N3
Molecular Weight377.32 g/mol
Exact Mass377.10
IUPAC Name2-(2,6-difluorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-indole
SMILESCn1nc(C(F)(F)F)cc1-c1ccc2[nH]c(-c3c(F)cccc3F)cc2c1
InChIInChI=1S/C19H12F5N3/c1-27-16(9-17(26-27)19(22,23)24)10-5-6-14-11(7-10)8-15(25-14)18-12(20)3-2-4-13(18)21/h2-9,25H,1H3
InChIKeyOLQJNPSTJSEKCH-UHFFFAOYSA-N
XLogP5.53
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.32
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2,6-difluorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(trifluoromethyl)-9H-carbazole
CID 42611896
2-(5-Methyl-1H-pyrazol-3-yl)-1H-indole
CID 135929097
5,12-Dihydroindolo[3,2-a]carbazole
CID 4713445
2-[3,5-Bis(trifluoromethyl)phenyl]-3-[2-(methylethylamino)ethyl]-1H-indole
CID 44324051
7-Methyl-1,2,4,5-tetrahydropyrazolo[3,4-a]carbazole
CID 659102
5-Methyl-3,4,16-triazatetracyclo[7.7.0.0^{2,6}.0^{10,15}]hexadeca-1(9),2,5,10,12,14-hexaene
CID 135929094
3-methyl-6-(trifluoromethyl)-9H-carbazole
CID 46855064
3-(3,5-dimethyl-1H-pyrazol-1-yl)-2-methyl-1H-indole
CID 4266993
3-(1h-Indol-2-yl)-6-methyl-1h-indazole
CID 135406885
3-(1h-Indol-2-yl)-1h-indazole
CID 135409238
5-fluoro-3-(1H-indol-2-yl)-1H-indazole
CID 135409247
3-(5-methyl-1H-indol-2-yl)-1H-indazole
CID 135494486

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-indole?
The IUPAC name of 2-(2,6-difluorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-indole (CID 51037308) is 2-(2,6-difluorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-indole.
What is the SMILES notation for 2-(2,6-difluorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-indole?
The canonical SMILES for 2-(2,6-difluorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-indole is Cn1nc(C(F)(F)F)cc1-c1ccc2[nH]c(-c3c(F)cccc3F)cc2c1.
What is the InChIKey of 2-(2,6-difluorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-indole?
The InChIKey is OLQJNPSTJSEKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F5N3/c1-27-16(9-17(26-27)19(22,23)24)10-5-6-14-11(7-10)8-15(25-14)18-12(20)3-2-4-13(18)21/h2-9,25H,1H3.
What are the key properties of 2-(2,6-difluorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-indole?
2-(2,6-difluorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-indole has a molecular weight of 377.32 g/mol, XLogP of 5.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-indole is sourced from PubChem (CID 51037308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).