3-methyl-5-[2-(trifluoromethyl)phenyl]-2H-indazole

C15H11F3N2 — CID 90645456

IUPAC3-methyl-5-[2-(trifluoromethyl)phenyl]-2H-indazole
SMILESCc1[nH]nc2ccc(-c3ccccc3C(F)(F)F)cc12
InChIInChI=1S/C15H11F3N2/c1-9-12-8-10(6-7-14(12)20-19-9)11-4-2-3-5-13(11)15(16,17)18/h2-8H,1H3,(H,19,20)
InChIKeyAZMMWBUQIXBLDU-UHFFFAOYSA-N
MW276.26 g/mol
LogP4.56
Rot. Bonds1

About 3-methyl-5-[2-(trifluoromethyl)phenyl]-2H-indazole

3-methyl-5-[2-(trifluoromethyl)phenyl]-2H-indazole (PubChem CID 90645456) has the molecular formula C15H11F3N2 and a molecular weight of 276.26 g/mol. Its IUPAC name is 3-methyl-5-[2-(trifluoromethyl)phenyl]-2H-indazole.

Molecular Properties

Compound Name3-methyl-5-[2-(trifluoromethyl)phenyl]-2H-indazole
PubChem CID90645456
Molecular FormulaC15H11F3N2
Molecular Weight276.26 g/mol
Exact Mass276.09
IUPAC Name3-methyl-5-[2-(trifluoromethyl)phenyl]-2H-indazole
SMILESCc1[nH]nc2ccc(-c3ccccc3C(F)(F)F)cc12
InChIInChI=1S/C15H11F3N2/c1-9-12-8-10(6-7-14(12)20-19-9)11-4-2-3-5-13(11)15(16,17)18/h2-8H,1H3,(H,19,20)
InChIKeyAZMMWBUQIXBLDU-UHFFFAOYSA-N
XLogP4.56
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[2-(trifluoromethyl)phenyl]-2H-indazole?
The IUPAC name of 3-methyl-5-[2-(trifluoromethyl)phenyl]-2H-indazole (CID 90645456) is 3-methyl-5-[2-(trifluoromethyl)phenyl]-2H-indazole.
What is the SMILES notation for 3-methyl-5-[2-(trifluoromethyl)phenyl]-2H-indazole?
The canonical SMILES for 3-methyl-5-[2-(trifluoromethyl)phenyl]-2H-indazole is Cc1[nH]nc2ccc(-c3ccccc3C(F)(F)F)cc12.
What is the InChIKey of 3-methyl-5-[2-(trifluoromethyl)phenyl]-2H-indazole?
The InChIKey is AZMMWBUQIXBLDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2/c1-9-12-8-10(6-7-14(12)20-19-9)11-4-2-3-5-13(11)15(16,17)18/h2-8H,1H3,(H,19,20).
What are the key properties of 3-methyl-5-[2-(trifluoromethyl)phenyl]-2H-indazole?
3-methyl-5-[2-(trifluoromethyl)phenyl]-2H-indazole has a molecular weight of 276.26 g/mol, XLogP of 4.56, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[2-(trifluoromethyl)phenyl]-2H-indazole is sourced from PubChem (CID 90645456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).