3-(trifluoromethyl)-5-[2-(2,3,3-trimethylbutan-2-yloxy)ethyl]-2H-indazole

C17H23F3N2O — CID 146387333

IUPAC3-(trifluoromethyl)-5-[2-(2,3,3-trimethylbutan-2-yloxy)ethyl]-2H-indazole
SMILESCC(C)(C)C(C)(C)OCCc1ccc2n[nH]c(C(F)(F)F)c2c1
InChIInChI=1S/C17H23F3N2O/c1-15(2,3)16(4,5)23-9-8-11-6-7-13-12(10-11)14(22-21-13)17(18,19)20/h6-7,10H,8-9H2,1-5H3,(H,21,22)
InChIKeyNOSSGEMXCJMCFW-UHFFFAOYSA-N
MW328.38 g/mol
LogP4.97
Rot. Bonds4

About 3-(trifluoromethyl)-5-[2-(2,3,3-trimethylbutan-2-yloxy)ethyl]-2H-indazole

3-(trifluoromethyl)-5-[2-(2,3,3-trimethylbutan-2-yloxy)ethyl]-2H-indazole (PubChem CID 146387333) has the molecular formula C17H23F3N2O and a molecular weight of 328.38 g/mol. Its IUPAC name is 3-(trifluoromethyl)-5-[2-(2,3,3-trimethylbutan-2-yloxy)ethyl]-2H-indazole.

Molecular Properties

Compound Name3-(trifluoromethyl)-5-[2-(2,3,3-trimethylbutan-2-yloxy)ethyl]-2H-indazole
PubChem CID146387333
Molecular FormulaC17H23F3N2O
Molecular Weight328.38 g/mol
Exact Mass328.18
IUPAC Name3-(trifluoromethyl)-5-[2-(2,3,3-trimethylbutan-2-yloxy)ethyl]-2H-indazole
SMILESCC(C)(C)C(C)(C)OCCc1ccc2n[nH]c(C(F)(F)F)c2c1
InChIInChI=1S/C17H23F3N2O/c1-15(2,3)16(4,5)23-9-8-11-6-7-13-12(10-11)14(22-21-13)17(18,19)20/h6-7,10H,8-9H2,1-5H3,(H,21,22)
InChIKeyNOSSGEMXCJMCFW-UHFFFAOYSA-N
XLogP4.97
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-5-[2-(2,3,3-trimethylbutan-2-yloxy)ethyl]-2H-indazole?
The IUPAC name of 3-(trifluoromethyl)-5-[2-(2,3,3-trimethylbutan-2-yloxy)ethyl]-2H-indazole (CID 146387333) is 3-(trifluoromethyl)-5-[2-(2,3,3-trimethylbutan-2-yloxy)ethyl]-2H-indazole.
What is the SMILES notation for 3-(trifluoromethyl)-5-[2-(2,3,3-trimethylbutan-2-yloxy)ethyl]-2H-indazole?
The canonical SMILES for 3-(trifluoromethyl)-5-[2-(2,3,3-trimethylbutan-2-yloxy)ethyl]-2H-indazole is CC(C)(C)C(C)(C)OCCc1ccc2n[nH]c(C(F)(F)F)c2c1.
What is the InChIKey of 3-(trifluoromethyl)-5-[2-(2,3,3-trimethylbutan-2-yloxy)ethyl]-2H-indazole?
The InChIKey is NOSSGEMXCJMCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O/c1-15(2,3)16(4,5)23-9-8-11-6-7-13-12(10-11)14(22-21-13)17(18,19)20/h6-7,10H,8-9H2,1-5H3,(H,21,22).
What are the key properties of 3-(trifluoromethyl)-5-[2-(2,3,3-trimethylbutan-2-yloxy)ethyl]-2H-indazole?
3-(trifluoromethyl)-5-[2-(2,3,3-trimethylbutan-2-yloxy)ethyl]-2H-indazole has a molecular weight of 328.38 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-5-[2-(2,3,3-trimethylbutan-2-yloxy)ethyl]-2H-indazole is sourced from PubChem (CID 146387333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).