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

C20H24F3N3 — CID 58200603

IUPAC2-cyclohexyl-5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2,3-dihydro-1H-indole
SMILESCCn1nc(C(F)(F)F)cc1-c1ccc2c(c1)CC(C1CCCCC1)N2
InChIInChI=1S/C20H24F3N3/c1-2-26-18(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/h8-10,12-13,17,24H,2-7,11H2,1H3
InChIKeyBQIDZEZQJPGDGI-UHFFFAOYSA-N
MW363.43 g/mol
LogP5.51
Rot. Bonds3

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

2-cyclohexyl-5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2,3-dihydro-1H-indole (PubChem CID 58200603) has the molecular formula C20H24F3N3 and a molecular weight of 363.43 g/mol. Its IUPAC name is 2-cyclohexyl-5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name2-cyclohexyl-5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2,3-dihydro-1H-indole
PubChem CID58200603
Molecular FormulaC20H24F3N3
Molecular Weight363.43 g/mol
Exact Mass363.19
IUPAC Name2-cyclohexyl-5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2,3-dihydro-1H-indole
SMILESCCn1nc(C(F)(F)F)cc1-c1ccc2c(c1)CC(C1CCCCC1)N2
InChIInChI=1S/C20H24F3N3/c1-2-26-18(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/h8-10,12-13,17,24H,2-7,11H2,1H3
InChIKeyBQIDZEZQJPGDGI-UHFFFAOYSA-N
XLogP5.51
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.43
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-cyclohexyl-5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2,3-dihydro-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

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2,3-dihydro-1H-indole?
The IUPAC name of 2-cyclohexyl-5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2,3-dihydro-1H-indole (CID 58200603) is 2-cyclohexyl-5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2,3-dihydro-1H-indole.
What is the SMILES notation for 2-cyclohexyl-5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2,3-dihydro-1H-indole?
The canonical SMILES for 2-cyclohexyl-5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2,3-dihydro-1H-indole is 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?
The InChIKey is BQIDZEZQJPGDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N3/c1-2-26-18(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/h8-10,12-13,17,24H,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?
2-cyclohexyl-5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2,3-dihydro-1H-indole has a molecular weight of 363.43 g/mol, XLogP of 5.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 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 is sourced from PubChem (CID 58200603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).