N-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-phenylacetamide

C14H14F3N3O2 — CID 4678561

IUPACN-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-phenylacetamide
SMILESCN(C(=O)COc1cc(C(F)(F)F)nn1C)c1ccccc1
InChIInChI=1S/C14H14F3N3O2/c1-19(10-6-4-3-5-7-10)12(21)9-22-13-8-11(14(15,16)17)18-20(13)2/h3-8H,9H2,1-2H3
InChIKeyNPDSZJJDZIFUOO-UHFFFAOYSA-N
MW313.28 g/mol
LogP2.48
Rot. Bonds4

About N-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-phenylacetamide

N-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-phenylacetamide (PubChem CID 4678561) has the molecular formula C14H14F3N3O2 and a molecular weight of 313.28 g/mol. Its IUPAC name is N-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-phenylacetamide.

Molecular Properties

Compound NameN-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-phenylacetamide
PubChem CID4678561
Molecular FormulaC14H14F3N3O2
Molecular Weight313.28 g/mol
Exact Mass313.10
IUPAC NameN-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-phenylacetamide
SMILESCN(C(=O)COc1cc(C(F)(F)F)nn1C)c1ccccc1
InChIInChI=1S/C14H14F3N3O2/c1-19(10-6-4-3-5-7-10)12(21)9-22-13-8-11(14(15,16)17)18-20(13)2/h3-8H,9H2,1-2H3
InChIKeyNPDSZJJDZIFUOO-UHFFFAOYSA-N
XLogP2.48
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[2-[1-(3,4-Difluorophenyl)-5-methylpyrazol-3-yl]oxyethyl]piperazin-1-yl]ethanone
CID 168279516
4-[2-(5-Methyl-1-phenylpyrazol-3-yl)oxyethyl]morpholine
CID 71456959
Pyrazole, 5-(2-(dimethylamino)ethoxy)-3-methyl-1-phenyl-
CID 199978
1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl N-phenylcarbamate
CID 1476826
Ammonium, (2-(3-methyl-1-phenyl-5-pyrazolyloxy)ethyl)trimethyl-, iodide
CID 21683
Ethanol, 2-(methyl(2-(3-methyl-1-phenyl-5-pyrazolyloxy)ethyl)amino)-
CID 27019
Pyrazole, 5-(2-(diethylamino)ethoxy)-3-methyl-1-phenyl-
CID 199979
Pyrazole, 5-(2-(dipropylamino)ethoxy)-3-methyl-1-phenyl-
CID 199980
Pyrazole, 1-benzyl-5-(2-(dimethylamino)ethoxy)-3-methyl-
CID 199981
Pyrazole, 3-methyl-1-phenyl-5-(2-piperidinoethoxy)-
CID 203737
5-(3-(Dimethylamino)propoxy)-3-methyl-1-phenylpyrazole
CID 203739
Pyrazole, 3-methyl-1-phenyl-5-(2-(1-pyrrolidinyl)ethoxy)-
CID 203773

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-phenylacetamide?
The IUPAC name of N-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-phenylacetamide (CID 4678561) is N-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-phenylacetamide.
What is the SMILES notation for N-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-phenylacetamide?
The canonical SMILES for N-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-phenylacetamide is CN(C(=O)COc1cc(C(F)(F)F)nn1C)c1ccccc1.
What is the InChIKey of N-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-phenylacetamide?
The InChIKey is NPDSZJJDZIFUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O2/c1-19(10-6-4-3-5-7-10)12(21)9-22-13-8-11(14(15,16)17)18-20(13)2/h3-8H,9H2,1-2H3.
What are the key properties of N-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-phenylacetamide?
N-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-phenylacetamide has a molecular weight of 313.28 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-phenylacetamide is sourced from PubChem (CID 4678561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).