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

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Related Compounds

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
2-cyclohexyl-5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-1-(trifluoromethylsulfonyl)-2,3-dihydroindole
CID 58200700
1-[4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-N-methylmethanamine
CID 177142047
5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2-(oxan-4-yl)-1H-indole
CID 58200577
2-(2,3-dihydropyridin-4-yl)-5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-indole
CID 174651363
tert-butyl 4-[5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-indol-2-yl]-3,4-dihydro-2H-pyridine-1-carboxylate
CID 67042182
1-ethyl-5-(furan-2-yl)-3-(trifluoromethyl)pyrazole
CID 70851896
1-(cyclohexylmethyl)-5-methyl-3-(trifluoromethyl)pyrazole
CID 70919591
1-ethyl-3-(trifluoromethyl)pyrazol-5-amine
CID 19623304
1,5-diethyl-3-(trifluoromethyl)pyrazole
CID 88973141
4-cyclohexyl-1-ethyl-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyrazole
CID 19356017
5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-2-(3-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridine
CID 71603595

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).