1-phenyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-4-amine

C14H14F3N3 — CID 82592484

IUPAC1-phenyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-4-amine
SMILESNC1CCCc2c1c(C(F)(F)F)nn2-c1ccccc1
InChIInChI=1S/C14H14F3N3/c15-14(16,17)13-12-10(18)7-4-8-11(12)20(19-13)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8,18H2
InChIKeyZRMHBUADKAZMPU-UHFFFAOYSA-N
MW281.28 g/mol
LogP3.23
Rot. Bonds1

About 1-phenyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-4-amine

1-phenyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-4-amine (PubChem CID 82592484) has the molecular formula C14H14F3N3 and a molecular weight of 281.28 g/mol. Its IUPAC name is 1-phenyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-4-amine.

Molecular Properties

Compound Name1-phenyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-4-amine
PubChem CID82592484
Molecular FormulaC14H14F3N3
Molecular Weight281.28 g/mol
Exact Mass281.11
IUPAC Name1-phenyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-4-amine
SMILESNC1CCCc2c1c(C(F)(F)F)nn2-c1ccccc1
InChIInChI=1S/C14H14F3N3/c15-14(16,17)13-12-10(18)7-4-8-11(12)20(19-13)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8,18H2
InChIKeyZRMHBUADKAZMPU-UHFFFAOYSA-N
XLogP3.23
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-4-amine?
The IUPAC name of 1-phenyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-4-amine (CID 82592484) is 1-phenyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-4-amine.
What is the SMILES notation for 1-phenyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-4-amine?
The canonical SMILES for 1-phenyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-4-amine is NC1CCCc2c1c(C(F)(F)F)nn2-c1ccccc1.
What is the InChIKey of 1-phenyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-4-amine?
The InChIKey is ZRMHBUADKAZMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3/c15-14(16,17)13-12-10(18)7-4-8-11(12)20(19-13)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8,18H2.
What are the key properties of 1-phenyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-4-amine?
1-phenyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-4-amine has a molecular weight of 281.28 g/mol, XLogP of 3.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-4-amine is sourced from PubChem (CID 82592484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).