2-(2,3-dihydro-1H-inden-1-yl)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide

C18H20F3N3O — CID 70734709

IUPAC2-(2,3-dihydro-1H-inden-1-yl)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide
SMILESCc1cc(C(F)(F)F)nn1CCNC(=O)CC1CCc2ccccc21
InChIInChI=1S/C18H20F3N3O/c1-12-10-16(18(19,20)21)23-24(12)9-8-22-17(25)11-14-7-6-13-4-2-3-5-15(13)14/h2-5,10,14H,6-9,11H2,1H3,(H,22,25)
InChIKeyOISDJWDQOUMHQM-UHFFFAOYSA-N
MW351.37 g/mol
LogP3.45
Rot. Bonds5

About 2-(2,3-dihydro-1H-inden-1-yl)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide

2-(2,3-dihydro-1H-inden-1-yl)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide (PubChem CID 70734709) has the molecular formula C18H20F3N3O and a molecular weight of 351.37 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-1-yl)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-1-yl)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide
PubChem CID70734709
Molecular FormulaC18H20F3N3O
Molecular Weight351.37 g/mol
Exact Mass351.16
IUPAC Name2-(2,3-dihydro-1H-inden-1-yl)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide
SMILESCc1cc(C(F)(F)F)nn1CCNC(=O)CC1CCc2ccccc21
InChIInChI=1S/C18H20F3N3O/c1-12-10-16(18(19,20)21)23-24(12)9-8-22-17(25)11-14-7-6-13-4-2-3-5-15(13)14/h2-5,10,14H,6-9,11H2,1H3,(H,22,25)
InChIKeyOISDJWDQOUMHQM-UHFFFAOYSA-N
XLogP3.45
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide
CID 97125496
2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]acetamide
CID 97151501
N-[2-[[2-[(1R)-2,3-dihydro-1H-inden-1-yl]acetyl]amino]ethyl]-2,2,2-trifluoroacetamide
CID 95227390
2-(2,3-dihydro-1H-inden-1-yl)-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]acetamide
CID 72890558
2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
CID 97147749
2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(2-imidazol-1-ylethyl)acetamide
CID 95125863
(2S)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-5-oxopyrrolidine-2-carboxamide
CID 91776394
2-(2,3-dihydro-1H-inden-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 86955297
(2R)-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 51391479
1-methyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyrrole-2-carboxamide
CID 91774793
N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]cyclopentanecarboxamide
CID 35290168
N-(2-hydroxyethyl)-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19566161

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-1-yl)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide?
The IUPAC name of 2-(2,3-dihydro-1H-inden-1-yl)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide (CID 70734709) is 2-(2,3-dihydro-1H-inden-1-yl)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-1-yl)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-1-yl)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide is Cc1cc(C(F)(F)F)nn1CCNC(=O)CC1CCc2ccccc21.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-1-yl)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide?
The InChIKey is OISDJWDQOUMHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3O/c1-12-10-16(18(19,20)21)23-24(12)9-8-22-17(25)11-14-7-6-13-4-2-3-5-15(13)14/h2-5,10,14H,6-9,11H2,1H3,(H,22,25).
What are the key properties of 2-(2,3-dihydro-1H-inden-1-yl)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide?
2-(2,3-dihydro-1H-inden-1-yl)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide has a molecular weight of 351.37 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-1-yl)-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide is sourced from PubChem (CID 70734709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).