3,5-dimethoxy-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzamide

C19H22F3N3O3 — CID 90614839

IUPAC3,5-dimethoxy-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NCCn2nc(C(F)(F)F)c3c2CCCC3)c1
InChIInChI=1S/C19H22F3N3O3/c1-27-13-9-12(10-14(11-13)28-2)18(26)23-7-8-25-16-6-4-3-5-15(16)17(24-25)19(20,21)22/h9-11H,3-8H2,1-2H3,(H,23,26)
InChIKeyJGXSRPBZAPTHNT-UHFFFAOYSA-N
MW397.40 g/mol
LogP3.23
Rot. Bonds6

About 3,5-dimethoxy-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzamide

3,5-dimethoxy-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzamide (PubChem CID 90614839) has the molecular formula C19H22F3N3O3 and a molecular weight of 397.40 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzamide
PubChem CID90614839
Molecular FormulaC19H22F3N3O3
Molecular Weight397.40 g/mol
Exact Mass397.16
IUPAC Name3,5-dimethoxy-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NCCn2nc(C(F)(F)F)c3c2CCCC3)c1
InChIInChI=1S/C19H22F3N3O3/c1-27-13-9-12(10-14(11-13)28-2)18(26)23-7-8-25-16-6-4-3-5-15(16)17(24-25)19(20,21)22/h9-11H,3-8H2,1-2H3,(H,23,26)
InChIKeyJGXSRPBZAPTHNT-UHFFFAOYSA-N
XLogP3.23
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.40
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3,5-dimethoxy-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

4-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzamide
CID 90614856
4-propan-2-yloxy-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzamide
CID 90614831
2,3-dimethoxy-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzamide
CID 90614840
2-propyl-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]pentanamide
CID 90614777
2-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzamide
CID 90614857
N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]-1-benzofuran-2-carboxamide
CID 90614801
2,3-dimethyl-5-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]imidazo[1,2-a]pyridine-8-carboxamide
CID 86653504
methyl 2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetate
CID 788041
2-(2-methylphenoxy)-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]acetamide
CID 72718569
N-(1-methylpyrazol-3-yl)-4-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethoxy]benzamide
CID 66875458
1-methylsulfonyl-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]piperidine-4-carboxamide
CID 90614885
4-butyl-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]cyclohexane-1-carboxamide
CID 90614850

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzamide (CID 90614839) is 3,5-dimethoxy-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzamide is COc1cc(OC)cc(C(=O)NCCn2nc(C(F)(F)F)c3c2CCCC3)c1.
What is the InChIKey of 3,5-dimethoxy-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzamide?
The InChIKey is JGXSRPBZAPTHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N3O3/c1-27-13-9-12(10-14(11-13)28-2)18(26)23-7-8-25-16-6-4-3-5-15(16)17(24-25)19(20,21)22/h9-11H,3-8H2,1-2H3,(H,23,26).
What are the key properties of 3,5-dimethoxy-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzamide?
3,5-dimethoxy-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzamide has a molecular weight of 397.40 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzamide is sourced from PubChem (CID 90614839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).