2-cyclohexyl-5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2,3-dihydro-1H-indole;5-[2-cyclohexyl-1-(trifluoromethylsulfonyl)-2,3-dihydro-1H-inden-5-yl]-1-ethyl-3-(trifluoromethyl)pyrazole

C42H48F9N5O2S — CID 159669703

IUPAC2-cyclohexyl-5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2,3-dihydro-1H-indole;5-[2-cyclohexyl-1-(trifluoromethylsulfonyl)-2,3-dihydro-1H-inden-5-yl]-1-ethyl-3-(trifluoromethyl)pyrazole
SMILESCCn1nc(C(F)(F)F)cc1-c1ccc2c(c1)CC(C1CCCCC1)C2S(=O)(=O)C(F)(F)F.CCn1nc(C(F)(F)F)cc1-c1ccc2c(c1)CC(C1CCCCC1)N2
InChIInChI=1S/C22H24F6N2O2S.C20H24F3N3/c1-2-30-18(12-19(29-30)21(23,24)25)14-8-9-16-15(10-14)11-17(13-6-4-3-5-7-13)20(16)33(31,32)22(26,27)28;1-2-26-18(12-19(25-26)20(21,22)23)14-8-9-16-15(10-14)11-17(24-16)13-6-4-3-5-7-13/h8-10,12-13,17,20H,2-7,11H2,1H3;8-10,12-13,17,24H,2-7,11H2,1H3
InChIKeyMTVPDDTWUZVRTR-UHFFFAOYSA-N
MW857.93 g/mol
LogP11.82
Rot. Bonds7

About 2-cyclohexyl-5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2,3-dihydro-1H-indole;5-[2-cyclohexyl-1-(trifluoromethylsulfonyl)-2,3-dihydro-1H-inden-5-yl]-1-ethyl-3-(trifluoromethyl)pyrazole

2-cyclohexyl-5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2,3-dihydro-1H-indole;5-[2-cyclohexyl-1-(trifluoromethylsulfonyl)-2,3-dihydro-1H-inden-5-yl]-1-ethyl-3-(trifluoromethyl)pyrazole (PubChem CID 159669703) has the molecular formula C42H48F9N5O2S and a molecular weight of 857.93 g/mol. Its IUPAC name is 2-cyclohexyl-5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2,3-dihydro-1H-indole;5-[2-cyclohexyl-1-(trifluoromethylsulfonyl)-2,3-dihydro-1H-inden-5-yl]-1-ethyl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name2-cyclohexyl-5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2,3-dihydro-1H-indole;5-[2-cyclohexyl-1-(trifluoromethylsulfonyl)-2,3-dihydro-1H-inden-5-yl]-1-ethyl-3-(trifluoromethyl)pyrazole
PubChem CID159669703
Molecular FormulaC42H48F9N5O2S
Molecular Weight857.93 g/mol
Exact Mass857.34
IUPAC Name2-cyclohexyl-5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2,3-dihydro-1H-indole;5-[2-cyclohexyl-1-(trifluoromethylsulfonyl)-2,3-dihydro-1H-inden-5-yl]-1-ethyl-3-(trifluoromethyl)pyrazole
SMILESCCn1nc(C(F)(F)F)cc1-c1ccc2c(c1)CC(C1CCCCC1)C2S(=O)(=O)C(F)(F)F.CCn1nc(C(F)(F)F)cc1-c1ccc2c(c1)CC(C1CCCCC1)N2
InChIInChI=1S/C22H24F6N2O2S.C20H24F3N3/c1-2-30-18(12-19(29-30)21(23,24)25)14-8-9-16-15(10-14)11-17(13-6-4-3-5-7-13)20(16)33(31,32)22(26,27)28;1-2-26-18(12-19(25-26)20(21,22)23)14-8-9-16-15(10-14)11-17(24-16)13-6-4-3-5-7-13/h8-10,12-13,17,20H,2-7,11H2,1H3;8-10,12-13,17,24H,2-7,11H2,1H3
InChIKeyMTVPDDTWUZVRTR-UHFFFAOYSA-N
XLogP11.82
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500857.93
LogP ≤ 511.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-cyclohexyl-5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2,3-dihydro-1H-indole;5-[2-cyclohexyl-1-(trifluoromethylsulfonyl)-2,3-dihydro-1H-inden-5-yl]-1-ethyl-3-(trifluoromethyl)pyrazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2,3-dihydro-1H-indole;5-[2-cyclohexyl-1-(trifluoromethylsulfonyl)-2,3-dihydro-1H-inden-5-yl]-1-ethyl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 2-cyclohexyl-5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2,3-dihydro-1H-indole;5-[2-cyclohexyl-1-(trifluoromethylsulfonyl)-2,3-dihydro-1H-inden-5-yl]-1-ethyl-3-(trifluoromethyl)pyrazole (CID 159669703) is 2-cyclohexyl-5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2,3-dihydro-1H-indole;5-[2-cyclohexyl-1-(trifluoromethylsulfonyl)-2,3-dihydro-1H-inden-5-yl]-1-ethyl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 2-cyclohexyl-5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2,3-dihydro-1H-indole;5-[2-cyclohexyl-1-(trifluoromethylsulfonyl)-2,3-dihydro-1H-inden-5-yl]-1-ethyl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 2-cyclohexyl-5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2,3-dihydro-1H-indole;5-[2-cyclohexyl-1-(trifluoromethylsulfonyl)-2,3-dihydro-1H-inden-5-yl]-1-ethyl-3-(trifluoromethyl)pyrazole is CCn1nc(C(F)(F)F)cc1-c1ccc2c(c1)CC(C1CCCCC1)C2S(=O)(=O)C(F)(F)F.CCn1nc(C(F)(F)F)cc1-c1ccc2c(c1)CC(C1CCCCC1)N2.
What is the InChIKey of 2-cyclohexyl-5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2,3-dihydro-1H-indole;5-[2-cyclohexyl-1-(trifluoromethylsulfonyl)-2,3-dihydro-1H-inden-5-yl]-1-ethyl-3-(trifluoromethyl)pyrazole?
The InChIKey is MTVPDDTWUZVRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F6N2O2S.C20H24F3N3/c1-2-30-18(12-19(29-30)21(23,24)25)14-8-9-16-15(10-14)11-17(13-6-4-3-5-7-13)20(16)33(31,32)22(26,27)28;1-2-26-18(12-19(25-26)20(21,22)23)14-8-9-16-15(10-14)11-17(24-16)13-6-4-3-5-7-13/h8-10,12-13,17,20H,2-7,11H2,1H3;8-10,12-13,17,24H,2-7,11H2,1H3.
What are the key properties of 2-cyclohexyl-5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2,3-dihydro-1H-indole;5-[2-cyclohexyl-1-(trifluoromethylsulfonyl)-2,3-dihydro-1H-inden-5-yl]-1-ethyl-3-(trifluoromethyl)pyrazole?
2-cyclohexyl-5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2,3-dihydro-1H-indole;5-[2-cyclohexyl-1-(trifluoromethylsulfonyl)-2,3-dihydro-1H-inden-5-yl]-1-ethyl-3-(trifluoromethyl)pyrazole has a molecular weight of 857.93 g/mol, XLogP of 11.82, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2,3-dihydro-1H-indole;5-[2-cyclohexyl-1-(trifluoromethylsulfonyl)-2,3-dihydro-1H-inden-5-yl]-1-ethyl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 159669703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).