6-propan-2-yl-5-[2-(trifluoromethyl)phenyl]-1H-indazole

C17H15F3N2 — CID 90645462

IUPAC6-propan-2-yl-5-[2-(trifluoromethyl)phenyl]-1H-indazole
SMILESCC(C)c1cc2[nH]ncc2cc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C17H15F3N2/c1-10(2)13-8-16-11(9-21-22-16)7-14(13)12-5-3-4-6-15(12)17(18,19)20/h3-10H,1-2H3,(H,21,22)
InChIKeyLMTHLRLOCUUWOQ-UHFFFAOYSA-N
MW304.31 g/mol
LogP5.37
Rot. Bonds2

About 6-propan-2-yl-5-[2-(trifluoromethyl)phenyl]-1H-indazole

6-propan-2-yl-5-[2-(trifluoromethyl)phenyl]-1H-indazole (PubChem CID 90645462) has the molecular formula C17H15F3N2 and a molecular weight of 304.31 g/mol. Its IUPAC name is 6-propan-2-yl-5-[2-(trifluoromethyl)phenyl]-1H-indazole.

Molecular Properties

Compound Name6-propan-2-yl-5-[2-(trifluoromethyl)phenyl]-1H-indazole
PubChem CID90645462
Molecular FormulaC17H15F3N2
Molecular Weight304.31 g/mol
Exact Mass304.12
IUPAC Name6-propan-2-yl-5-[2-(trifluoromethyl)phenyl]-1H-indazole
SMILESCC(C)c1cc2[nH]ncc2cc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C17H15F3N2/c1-10(2)13-8-16-11(9-21-22-16)7-14(13)12-5-3-4-6-15(12)17(18,19)20/h3-10H,1-2H3,(H,21,22)
InChIKeyLMTHLRLOCUUWOQ-UHFFFAOYSA-N
XLogP5.37
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.31
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-5-[2-(trifluoromethyl)phenyl]-1H-indazole?
The IUPAC name of 6-propan-2-yl-5-[2-(trifluoromethyl)phenyl]-1H-indazole (CID 90645462) is 6-propan-2-yl-5-[2-(trifluoromethyl)phenyl]-1H-indazole.
What is the SMILES notation for 6-propan-2-yl-5-[2-(trifluoromethyl)phenyl]-1H-indazole?
The canonical SMILES for 6-propan-2-yl-5-[2-(trifluoromethyl)phenyl]-1H-indazole is CC(C)c1cc2[nH]ncc2cc1-c1ccccc1C(F)(F)F.
What is the InChIKey of 6-propan-2-yl-5-[2-(trifluoromethyl)phenyl]-1H-indazole?
The InChIKey is LMTHLRLOCUUWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2/c1-10(2)13-8-16-11(9-21-22-16)7-14(13)12-5-3-4-6-15(12)17(18,19)20/h3-10H,1-2H3,(H,21,22).
What are the key properties of 6-propan-2-yl-5-[2-(trifluoromethyl)phenyl]-1H-indazole?
6-propan-2-yl-5-[2-(trifluoromethyl)phenyl]-1H-indazole has a molecular weight of 304.31 g/mol, XLogP of 5.37, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-5-[2-(trifluoromethyl)phenyl]-1H-indazole is sourced from PubChem (CID 90645462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).