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

C20H24F3N3O2 — CID 90614831

IUPAC4-propan-2-yloxy-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzamide
SMILESCC(C)Oc1ccc(C(=O)NCCn2nc(C(F)(F)F)c3c2CCCC3)cc1
InChIInChI=1S/C20H24F3N3O2/c1-13(2)28-15-9-7-14(8-10-15)19(27)24-11-12-26-17-6-4-3-5-16(17)18(25-26)20(21,22)23/h7-10,13H,3-6,11-12H2,1-2H3,(H,24,27)
InChIKeyLXHULUWKEICNAY-UHFFFAOYSA-N
MW395.43 g/mol
LogP4.00
Rot. Bonds6

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

4-propan-2-yloxy-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzamide (PubChem CID 90614831) has the molecular formula C20H24F3N3O2 and a molecular weight of 395.43 g/mol. Its IUPAC name is 4-propan-2-yloxy-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-propan-2-yloxy-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzamide
PubChem CID90614831
Molecular FormulaC20H24F3N3O2
Molecular Weight395.43 g/mol
Exact Mass395.18
IUPAC Name4-propan-2-yloxy-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzamide
SMILESCC(C)Oc1ccc(C(=O)NCCn2nc(C(F)(F)F)c3c2CCCC3)cc1
InChIInChI=1S/C20H24F3N3O2/c1-13(2)28-15-9-7-14(8-10-15)19(27)24-11-12-26-17-6-4-3-5-16(17)18(25-26)20(21,22)23/h7-10,13H,3-6,11-12H2,1-2H3,(H,24,27)
InChIKeyLXHULUWKEICNAY-UHFFFAOYSA-N
XLogP4.00
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzamide
CID 90614856
3,5-dimethoxy-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzamide
CID 90614839
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
2,3-dimethoxy-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzamide
CID 90614840
3-methyl-1-[4-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethoxy]phenyl]butan-1-one
CID 58267276
4-propan-2-yloxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide
CID 71808023
N-(1-methylpyrazol-3-yl)-4-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethoxy]benzamide
CID 66875458
4-propyl-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]benzamide
CID 90615521
2-(2-methylphenoxy)-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]acetamide
CID 72718569
N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]-1-benzofuran-2-carboxamide
CID 90614801
N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]-4-(trifluoromethyl)benzamide
CID 90614186

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yloxy-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzamide?
The IUPAC name of 4-propan-2-yloxy-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzamide (CID 90614831) is 4-propan-2-yloxy-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzamide.
What is the SMILES notation for 4-propan-2-yloxy-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzamide?
The canonical SMILES for 4-propan-2-yloxy-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzamide is CC(C)Oc1ccc(C(=O)NCCn2nc(C(F)(F)F)c3c2CCCC3)cc1.
What is the InChIKey of 4-propan-2-yloxy-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzamide?
The InChIKey is LXHULUWKEICNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N3O2/c1-13(2)28-15-9-7-14(8-10-15)19(27)24-11-12-26-17-6-4-3-5-16(17)18(25-26)20(21,22)23/h7-10,13H,3-6,11-12H2,1-2H3,(H,24,27).
What are the key properties of 4-propan-2-yloxy-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzamide?
4-propan-2-yloxy-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzamide has a molecular weight of 395.43 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yloxy-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzamide is sourced from PubChem (CID 90614831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).