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

C14H13F3N2 — CID 2760581

IUPAC1-phenyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole
SMILESFC(F)(F)c1nn(-c2ccccc2)c2c1CCCC2
InChIInChI=1S/C14H13F3N2/c15-14(16,17)13-11-8-4-5-9-12(11)19(18-13)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2
InChIKeyXYAUEMFYWKGQTL-UHFFFAOYSA-N
MW266.27 g/mol
LogP3.77
Rot. Bonds1

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

1-phenyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole (PubChem CID 2760581) has the molecular formula C14H13F3N2 and a molecular weight of 266.27 g/mol. Its IUPAC name is 1-phenyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole.

Molecular Properties

Compound Name1-phenyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole
PubChem CID2760581
Molecular FormulaC14H13F3N2
Molecular Weight266.27 g/mol
Exact Mass266.10
IUPAC Name1-phenyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole
SMILESFC(F)(F)c1nn(-c2ccccc2)c2c1CCCC2
InChIInChI=1S/C14H13F3N2/c15-14(16,17)13-11-8-4-5-9-12(11)19(18-13)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2
InChIKeyXYAUEMFYWKGQTL-UHFFFAOYSA-N
XLogP3.77
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-phenyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole?
The IUPAC name of 1-phenyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole (CID 2760581) is 1-phenyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole.
What is the SMILES notation for 1-phenyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole?
The canonical SMILES for 1-phenyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole is FC(F)(F)c1nn(-c2ccccc2)c2c1CCCC2.
What is the InChIKey of 1-phenyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole?
The InChIKey is XYAUEMFYWKGQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2/c15-14(16,17)13-11-8-4-5-9-12(11)19(18-13)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2.
What are the key properties of 1-phenyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole?
1-phenyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole has a molecular weight of 266.27 g/mol, XLogP of 3.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole is sourced from PubChem (CID 2760581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).