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

C19H22F3N3O4 — CID 1129724

IUPAC2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)cc(OC)c1OC
InChIInChI=1S/C19H22F3N3O4/c1-27-14-8-11(9-15(28-2)17(14)29-3)23-16(26)10-25-13-7-5-4-6-12(13)18(24-25)19(20,21)22/h8-9H,4-7,10H2,1-3H3,(H,23,26)
InChIKeyIOAMWYUJBCWENI-UHFFFAOYSA-N
MW413.40 g/mol
LogP3.45
Rot. Bonds6

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

2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 1129724) has the molecular formula C19H22F3N3O4 and a molecular weight of 413.40 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID1129724
Molecular FormulaC19H22F3N3O4
Molecular Weight413.40 g/mol
Exact Mass413.16
IUPAC Name2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)cc(OC)c1OC
InChIInChI=1S/C19H22F3N3O4/c1-27-14-8-11(9-15(28-2)17(14)29-3)23-16(26)10-25-13-7-5-4-6-12(13)18(24-25)19(20,21)22/h8-9H,4-7,10H2,1-3H3,(H,23,26)
InChIKeyIOAMWYUJBCWENI-UHFFFAOYSA-N
XLogP3.45
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.40
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-Benzo[1,3]dioxol-5-yl-2-(3-trifluoromethyl-4,5,6,7-tetrahydro-indazol-1-yl)-acetamide
CID 648823
N-(2,4-Dimethoxy-phenyl)-2-(3-trifluoromethyl-4,5,6,7-tetrahydro-indazol-1-yl)-acetamide
CID 645081
N-(3,4-dimethoxyphenyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]acetamide
CID 1129709
2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 1129771
2-{1H,4H-Chromeno[4,3-C]pyrazol-1-YL}-N-(3,4,5-trimethoxyphenyl)acetamide
CID 5309911
N~1~-(3,4-dimethoxyphenyl)-2-(1H-indazol-1-yl)acetamide
CID 20885229
3-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 16026472
1-benzyl-3-[3-(dimethylamino)propoxy]-N-(3,4,5-trimethoxyphenyl)pyrazole-5-carboxamide
CID 44267858
2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 1038213
1-(3,4,5-Trimethoxyphenyl)-3-[2-(1,3,5-trimethyl-1H-pyrazol-4-YL)ethyl]urea
CID 16028482
3-[2-(1-Ethyl-3,5-dimethyl-1H-pyrazol-4-YL)ethyl]-3-methyl-1-(3,4,5-trimethoxyphenyl)urea
CID 16028546
N-[3-phenyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]-2-[4-[(3,4,5-trimethoxyanilino)methyl]triazol-1-yl]acetamide
CID 122182989

Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of 2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide (CID 1129724) is 2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for 2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide is COc1cc(NC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)cc(OC)c1OC.
What is the InChIKey of 2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is IOAMWYUJBCWENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N3O4/c1-27-14-8-11(9-15(28-2)17(14)29-3)23-16(26)10-25-13-7-5-4-6-12(13)18(24-25)19(20,21)22/h8-9H,4-7,10H2,1-3H3,(H,23,26).
What are the key properties of 2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide?
2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 413.40 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 1129724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).