3-methyl-1-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindazol-4-amine

C15H16F3N3 — CID 82592652

IUPAC3-methyl-1-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindazol-4-amine
SMILESCc1nn(-c2ccccc2C(F)(F)F)c2c1C(N)CCC2
InChIInChI=1S/C15H16F3N3/c1-9-14-11(19)6-4-8-13(14)21(20-9)12-7-3-2-5-10(12)15(16,17)18/h2-3,5,7,11H,4,6,8,19H2,1H3
InChIKeyAFTWREKXHZQTMG-UHFFFAOYSA-N
MW295.31 g/mol
LogP3.54
Rot. Bonds1

About 3-methyl-1-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindazol-4-amine

3-methyl-1-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindazol-4-amine (PubChem CID 82592652) has the molecular formula C15H16F3N3 and a molecular weight of 295.31 g/mol. Its IUPAC name is 3-methyl-1-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindazol-4-amine.

Molecular Properties

Compound Name3-methyl-1-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindazol-4-amine
PubChem CID82592652
Molecular FormulaC15H16F3N3
Molecular Weight295.31 g/mol
Exact Mass295.13
IUPAC Name3-methyl-1-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindazol-4-amine
SMILESCc1nn(-c2ccccc2C(F)(F)F)c2c1C(N)CCC2
InChIInChI=1S/C15H16F3N3/c1-9-14-11(19)6-4-8-13(14)21(20-9)12-7-3-2-5-10(12)15(16,17)18/h2-3,5,7,11H,4,6,8,19H2,1H3
InChIKeyAFTWREKXHZQTMG-UHFFFAOYSA-N
XLogP3.54
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindazol-4-amine?
The IUPAC name of 3-methyl-1-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindazol-4-amine (CID 82592652) is 3-methyl-1-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindazol-4-amine.
What is the SMILES notation for 3-methyl-1-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindazol-4-amine?
The canonical SMILES for 3-methyl-1-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindazol-4-amine is Cc1nn(-c2ccccc2C(F)(F)F)c2c1C(N)CCC2.
What is the InChIKey of 3-methyl-1-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindazol-4-amine?
The InChIKey is AFTWREKXHZQTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3/c1-9-14-11(19)6-4-8-13(14)21(20-9)12-7-3-2-5-10(12)15(16,17)18/h2-3,5,7,11H,4,6,8,19H2,1H3.
What are the key properties of 3-methyl-1-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindazol-4-amine?
3-methyl-1-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindazol-4-amine has a molecular weight of 295.31 g/mol, XLogP of 3.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydroindazol-4-amine is sourced from PubChem (CID 82592652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).