3-[4-(aminomethyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]propanamide

C12H17F3N4O — CID 82593362

IUPAC3-[4-(aminomethyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]propanamide
SMILESNCC1CCCc2c1c(C(F)(F)F)nn2CCC(N)=O
InChIInChI=1S/C12H17F3N4O/c13-12(14,15)11-10-7(6-16)2-1-3-8(10)19(18-11)5-4-9(17)20/h7H,1-6,16H2,(H2,17,20)
InChIKeyBAYYDIRGAAAALH-UHFFFAOYSA-N
MW290.29 g/mol
LogP1.16
Rot. Bonds4

About 3-[4-(aminomethyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]propanamide

3-[4-(aminomethyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]propanamide (PubChem CID 82593362) has the molecular formula C12H17F3N4O and a molecular weight of 290.29 g/mol. Its IUPAC name is 3-[4-(aminomethyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]propanamide.

Molecular Properties

Compound Name3-[4-(aminomethyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]propanamide
PubChem CID82593362
Molecular FormulaC12H17F3N4O
Molecular Weight290.29 g/mol
Exact Mass290.14
IUPAC Name3-[4-(aminomethyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]propanamide
SMILESNCC1CCCc2c1c(C(F)(F)F)nn2CCC(N)=O
InChIInChI=1S/C12H17F3N4O/c13-12(14,15)11-10-7(6-16)2-1-3-8(10)19(18-11)5-4-9(17)20/h7H,1-6,16H2,(H2,17,20)
InChIKeyBAYYDIRGAAAALH-UHFFFAOYSA-N
XLogP1.16
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[4-(aminomethyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]propanamide 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 3-[4-(aminomethyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]propanamide?
The IUPAC name of 3-[4-(aminomethyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]propanamide (CID 82593362) is 3-[4-(aminomethyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]propanamide.
What is the SMILES notation for 3-[4-(aminomethyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]propanamide?
The canonical SMILES for 3-[4-(aminomethyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]propanamide is NCC1CCCc2c1c(C(F)(F)F)nn2CCC(N)=O.
What is the InChIKey of 3-[4-(aminomethyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]propanamide?
The InChIKey is BAYYDIRGAAAALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O/c13-12(14,15)11-10-7(6-16)2-1-3-8(10)19(18-11)5-4-9(17)20/h7H,1-6,16H2,(H2,17,20).
What are the key properties of 3-[4-(aminomethyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]propanamide?
3-[4-(aminomethyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]propanamide has a molecular weight of 290.29 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(aminomethyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]propanamide is sourced from PubChem (CID 82593362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).