2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-methoxyethyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide

C13H20F3N3O3 — CID 126821968

IUPAC2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-methoxyethyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
SMILESCOCCN(CC(O)C(F)(F)F)C(=O)Cc1c(C)n[nH]c1C
InChIInChI=1S/C13H20F3N3O3/c1-8-10(9(2)18-17-8)6-12(21)19(4-5-22-3)7-11(20)13(14,15)16/h11,20H,4-7H2,1-3H3,(H,17,18)
InChIKeyXUAJDIZXLYPTTC-UHFFFAOYSA-N
MW323.32 g/mol
LogP0.97
Rot. Bonds7

About 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-methoxyethyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide

2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-methoxyethyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide (PubChem CID 126821968) has the molecular formula C13H20F3N3O3 and a molecular weight of 323.32 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-methoxyethyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-methoxyethyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
PubChem CID126821968
Molecular FormulaC13H20F3N3O3
Molecular Weight323.32 g/mol
Exact Mass323.15
IUPAC Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-methoxyethyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
SMILESCOCCN(CC(O)C(F)(F)F)C(=O)Cc1c(C)n[nH]c1C
InChIInChI=1S/C13H20F3N3O3/c1-8-10(9(2)18-17-8)6-12(21)19(4-5-22-3)7-11(20)13(14,15)16/h11,20H,4-7H2,1-3H3,(H,17,18)
InChIKeyXUAJDIZXLYPTTC-UHFFFAOYSA-N
XLogP0.97
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanone
CID 118740021
N-[2-(3,5-Dimethyl-1H-pyrazol-4-YL)ethyl]-2-hydroxy-N,4-dimethylpentanamide
CID 77090336
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4,4,4-trifluorobutanamide
CID 77092657
trans-1-[(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-4-ethoxypyrrolidin-3-ol
CID 91777202
1-[(3R,4R)-3-(4,4-difluoropiperidin-1-yl)-4-hydroxypyrrolidin-1-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone
CID 110108500
2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(3-methoxy-4-methylpiperidin-1-yl)ethanone
CID 121523542
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[rac-(3S,4R)-4-ethoxytetrahydrofuran-3-yl]acetamide
CID 122569412
2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[4-(1-methoxy-2-methylpropan-2-yl)piperazin-1-yl]ethanone
CID 132309864
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-ethyl-N-[[(2R)-oxan-2-yl]methyl]acetamide
CID 164640998
N-(2-hydroxyethyl)-3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
CID 54877509
2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258620
N-[2-(3,5-Dimethyl-1H-pyrazol-4-YL)ethyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide
CID 86286068

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-methoxyethyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-methoxyethyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide (CID 126821968) is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-methoxyethyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-methoxyethyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-methoxyethyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide is COCCN(CC(O)C(F)(F)F)C(=O)Cc1c(C)n[nH]c1C.
What is the InChIKey of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-methoxyethyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The InChIKey is XUAJDIZXLYPTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3O3/c1-8-10(9(2)18-17-8)6-12(21)19(4-5-22-3)7-11(20)13(14,15)16/h11,20H,4-7H2,1-3H3,(H,17,18).
What are the key properties of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-methoxyethyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-methoxyethyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide has a molecular weight of 323.32 g/mol, XLogP of 0.97, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-methoxyethyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide is sourced from PubChem (CID 126821968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).