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

C19H22F3N3O2 — CID 72718569

IUPAC2-(2-methylphenoxy)-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]acetamide
SMILESCc1ccccc1OCC(=O)NCCn1nc(C(F)(F)F)c2c1CCCC2
InChIInChI=1S/C19H22F3N3O2/c1-13-6-2-5-9-16(13)27-12-17(26)23-10-11-25-15-8-4-3-7-14(15)18(24-25)19(20,21)22/h2,5-6,9H,3-4,7-8,10-12H2,1H3,(H,23,26)
InChIKeyXEWNVGOXAPSASY-UHFFFAOYSA-N
MW381.40 g/mol
LogP3.28
Rot. Bonds6

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

2-(2-methylphenoxy)-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]acetamide (PubChem CID 72718569) has the molecular formula C19H22F3N3O2 and a molecular weight of 381.40 g/mol. Its IUPAC name is 2-(2-methylphenoxy)-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(2-methylphenoxy)-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]acetamide
PubChem CID72718569
Molecular FormulaC19H22F3N3O2
Molecular Weight381.40 g/mol
Exact Mass381.17
IUPAC Name2-(2-methylphenoxy)-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]acetamide
SMILESCc1ccccc1OCC(=O)NCCn1nc(C(F)(F)F)c2c1CCCC2
InChIInChI=1S/C19H22F3N3O2/c1-13-6-2-5-9-16(13)27-12-17(26)23-10-11-25-15-8-4-3-7-14(15)18(24-25)19(20,21)22/h2,5-6,9H,3-4,7-8,10-12H2,1H3,(H,23,26)
InChIKeyXEWNVGOXAPSASY-UHFFFAOYSA-N
XLogP3.28
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.40
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dimethoxy-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzamide
CID 90614840
2-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzamide
CID 90614857
2-(2-methylphenoxy)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide
CID 90588586
2-(4-methylphenoxy)-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]acetamide
CID 90615534
2-(2-methylphenoxy)-N-[2-(2-oxopiperidin-1-yl)ethyl]acetamide
CID 110722802
3,5-dimethoxy-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzamide
CID 90614839
N-[2-(3-methylpyrazol-1-yl)ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
CID 16677485
4-propan-2-yloxy-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzamide
CID 90614831
2-propyl-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]pentanamide
CID 90614777
N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]-1-benzofuran-2-carboxamide
CID 90614801
2-(2-methylphenoxy)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 26732852
N-[(4-fluorophenyl)methyl]-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butanamide
CID 58267587

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]acetamide?
The IUPAC name of 2-(2-methylphenoxy)-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]acetamide (CID 72718569) is 2-(2-methylphenoxy)-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]acetamide.
What is the SMILES notation for 2-(2-methylphenoxy)-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]acetamide?
The canonical SMILES for 2-(2-methylphenoxy)-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]acetamide is Cc1ccccc1OCC(=O)NCCn1nc(C(F)(F)F)c2c1CCCC2.
What is the InChIKey of 2-(2-methylphenoxy)-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]acetamide?
The InChIKey is XEWNVGOXAPSASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N3O2/c1-13-6-2-5-9-16(13)27-12-17(26)23-10-11-25-15-8-4-3-7-14(15)18(24-25)19(20,21)22/h2,5-6,9H,3-4,7-8,10-12H2,1H3,(H,23,26).
What are the key properties of 2-(2-methylphenoxy)-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]acetamide?
2-(2-methylphenoxy)-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]acetamide has a molecular weight of 381.40 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenoxy)-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]acetamide is sourced from PubChem (CID 72718569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).