N-(2,2,2-trifluoroethoxy)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

C11H16F3N3O2 — CID 81340121

IUPACN-(2,2,2-trifluoroethoxy)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CCC(=O)NOCC(F)(F)F
InChIInChI=1S/C11H16F3N3O2/c1-7-9(8(2)17(3)15-7)4-5-10(18)16-19-6-11(12,13)14/h4-6H2,1-3H3,(H,16,18)
InChIKeyOAMMESICFPJHGH-UHFFFAOYSA-N
MW279.26 g/mol
LogP1.58
Rot. Bonds5

About N-(2,2,2-trifluoroethoxy)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

N-(2,2,2-trifluoroethoxy)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 81340121) has the molecular formula C11H16F3N3O2 and a molecular weight of 279.26 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethoxy)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethoxy)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID81340121
Molecular FormulaC11H16F3N3O2
Molecular Weight279.26 g/mol
Exact Mass279.12
IUPAC NameN-(2,2,2-trifluoroethoxy)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CCC(=O)NOCC(F)(F)F
InChIInChI=1S/C11H16F3N3O2/c1-7-9(8(2)17(3)15-7)4-5-10(18)16-19-6-11(12,13)14/h4-6H2,1-3H3,(H,16,18)
InChIKeyOAMMESICFPJHGH-UHFFFAOYSA-N
XLogP1.58
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2,2,2-trifluoroethyl)-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanamide
CID 49670390
N,N-diethyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 53528011
(2S)-3-[1-(ethoxymethyl)-3,5-dimethylpyrazol-4-yl]-2-methyl-N-(1-methylcyclohexyl)propanamide
CID 164638260
1-Methyl-5-propyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 140517260
2-[2-Methyl-5-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-3-yl]acetamide
CID 153322991
3-(Difluoromethyl)-1-methyl-5-(2-propan-2-yloxyiminoethyl)pyrazole-4-carboxamide
CID 176351118
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)cyclohexyl]propanamide
CID 36820867
3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 38024465
N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 53547519
N-{2-[(trifluoromethyl)thio]ethyl}-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanamide
CID 70764608
N-(2,2,2-trifluoroethoxy)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 81340103
2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-[(2-methylpropan-2-yl)oxy]acetamide
CID 84594659

Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethoxy)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of N-(2,2,2-trifluoroethoxy)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 81340121) is N-(2,2,2-trifluoroethoxy)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-(2,2,2-trifluoroethoxy)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for N-(2,2,2-trifluoroethoxy)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is Cc1nn(C)c(C)c1CCC(=O)NOCC(F)(F)F.
What is the InChIKey of N-(2,2,2-trifluoroethoxy)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is OAMMESICFPJHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O2/c1-7-9(8(2)17(3)15-7)4-5-10(18)16-19-6-11(12,13)14/h4-6H2,1-3H3,(H,16,18).
What are the key properties of N-(2,2,2-trifluoroethoxy)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
N-(2,2,2-trifluoroethoxy)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 279.26 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethoxy)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 81340121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).