1-methyl-5-[2-(trifluoromethyl)phenyl]indazole

C15H11F3N2 — CID 90645458

IUPAC1-methyl-5-[2-(trifluoromethyl)phenyl]indazole
SMILESCn1ncc2cc(-c3ccccc3C(F)(F)F)ccc21
InChIInChI=1S/C15H11F3N2/c1-20-14-7-6-10(8-11(14)9-19-20)12-4-2-3-5-13(12)15(16,17)18/h2-9H,1H3
InChIKeyTXKNNFBWMGCAIH-UHFFFAOYSA-N
MW276.26 g/mol
LogP4.26
Rot. Bonds1

About 1-methyl-5-[2-(trifluoromethyl)phenyl]indazole

1-methyl-5-[2-(trifluoromethyl)phenyl]indazole (PubChem CID 90645458) has the molecular formula C15H11F3N2 and a molecular weight of 276.26 g/mol. Its IUPAC name is 1-methyl-5-[2-(trifluoromethyl)phenyl]indazole.

Molecular Properties

Compound Name1-methyl-5-[2-(trifluoromethyl)phenyl]indazole
PubChem CID90645458
Molecular FormulaC15H11F3N2
Molecular Weight276.26 g/mol
Exact Mass276.09
IUPAC Name1-methyl-5-[2-(trifluoromethyl)phenyl]indazole
SMILESCn1ncc2cc(-c3ccccc3C(F)(F)F)ccc21
InChIInChI=1S/C15H11F3N2/c1-20-14-7-6-10(8-11(14)9-19-20)12-4-2-3-5-13(12)15(16,17)18/h2-9H,1H3
InChIKeyTXKNNFBWMGCAIH-UHFFFAOYSA-N
XLogP4.26
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[2-(trifluoromethyl)phenyl]indazole?
The IUPAC name of 1-methyl-5-[2-(trifluoromethyl)phenyl]indazole (CID 90645458) is 1-methyl-5-[2-(trifluoromethyl)phenyl]indazole.
What is the SMILES notation for 1-methyl-5-[2-(trifluoromethyl)phenyl]indazole?
The canonical SMILES for 1-methyl-5-[2-(trifluoromethyl)phenyl]indazole is Cn1ncc2cc(-c3ccccc3C(F)(F)F)ccc21.
What is the InChIKey of 1-methyl-5-[2-(trifluoromethyl)phenyl]indazole?
The InChIKey is TXKNNFBWMGCAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2/c1-20-14-7-6-10(8-11(14)9-19-20)12-4-2-3-5-13(12)15(16,17)18/h2-9H,1H3.
What are the key properties of 1-methyl-5-[2-(trifluoromethyl)phenyl]indazole?
1-methyl-5-[2-(trifluoromethyl)phenyl]indazole has a molecular weight of 276.26 g/mol, XLogP of 4.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[2-(trifluoromethyl)phenyl]indazole is sourced from PubChem (CID 90645458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).