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

C18H20F3N3O3 — CID 1129709

IUPACN-(3,4-dimethoxyphenyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
SMILESCOc1ccc(NC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)cc1OC
InChIInChI=1S/C18H20F3N3O3/c1-26-14-8-7-11(9-15(14)27-2)22-16(25)10-24-13-6-4-3-5-12(13)17(23-24)18(19,20)21/h7-9H,3-6,10H2,1-2H3,(H,22,25)
InChIKeyYPBCOJKTNHCNFS-UHFFFAOYSA-N
MW383.37 g/mol
LogP3.44
Rot. Bonds5

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

N-(3,4-dimethoxyphenyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide (PubChem CID 1129709) has the molecular formula C18H20F3N3O3 and a molecular weight of 383.37 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
PubChem CID1129709
Molecular FormulaC18H20F3N3O3
Molecular Weight383.37 g/mol
Exact Mass383.15
IUPAC NameN-(3,4-dimethoxyphenyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
SMILESCOc1ccc(NC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)cc1OC
InChIInChI=1S/C18H20F3N3O3/c1-26-14-8-7-11(9-15(14)27-2)22-16(25)10-24-13-6-4-3-5-12(13)17(23-24)18(19,20)21/h7-9H,3-6,10H2,1-2H3,(H,22,25)
InChIKeyYPBCOJKTNHCNFS-UHFFFAOYSA-N
XLogP3.44
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.37
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-(1,3-benzodioxol-5-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 711707
N-(2,4-dimethoxyphenyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]acetamide
CID 645081
N-(2-Methoxy-phenyl)-2-(3-trifluoromethyl-4,5,6,7-tetrahydro-indazol-1-yl)-acetamide
CID 646281
2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 1129771
N-(3,4-dimethoxyphenyl)-2-(3,4-dimethyl-7-oxo-2-phenyl-2,7-dihydro-6H-pyrazolo[3,4-d]pyridazin-6-yl)acetamide
CID 16022716
N~1~-(3,4-dimethoxyphenyl)-2-(1H-indazol-1-yl)acetamide
CID 20885229
N-(4-methoxybenzyl)-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 742291
2-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 1129724
N-(3,4-Dimethoxyphenyl)-2-[N-(4-methylphenyl)1,3,5-trimethyl-1H-pyrazole-4-sulfonamido]acetamide
CID 3244881
2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(3,4-dimethoxyphenyl)acetamide
CID 1101548
(2S)-N-(4-methoxyphenyl)-N-methyl-3-phenyl-2-[[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetyl]amino]propanamide
CID 91864608

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide (CID 1129709) is N-(3,4-dimethoxyphenyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide is COc1ccc(NC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
The InChIKey is YPBCOJKTNHCNFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3O3/c1-26-14-8-7-11(9-15(14)27-2)22-16(25)10-24-13-6-4-3-5-12(13)17(23-24)18(19,20)21/h7-9H,3-6,10H2,1-2H3,(H,22,25).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
N-(3,4-dimethoxyphenyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide has a molecular weight of 383.37 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide is sourced from PubChem (CID 1129709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).