N-ethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide

C13H16F3N5O2 — CID 35527730

IUPACN-ethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCCN(Cc1nonc1C)C(=O)Cn1nc(C(F)(F)F)cc1C
InChIInChI=1S/C13H16F3N5O2/c1-4-20(6-10-9(3)18-23-19-10)12(22)7-21-8(2)5-11(17-21)13(14,15)16/h5H,4,6-7H2,1-3H3
InChIKeyCHYYQLUZTHIODM-UHFFFAOYSA-N
MW331.30 g/mol
LogP1.95
Rot. Bonds5

About N-ethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-ethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 35527730) has the molecular formula C13H16F3N5O2 and a molecular weight of 331.30 g/mol. Its IUPAC name is N-ethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID35527730
Molecular FormulaC13H16F3N5O2
Molecular Weight331.30 g/mol
Exact Mass331.13
IUPAC NameN-ethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCCN(Cc1nonc1C)C(=O)Cn1nc(C(F)(F)F)cc1C
InChIInChI=1S/C13H16F3N5O2/c1-4-20(6-10-9(3)18-23-19-10)12(22)7-21-8(2)5-11(17-21)13(14,15)16/h5H,4,6-7H2,1-3H3
InChIKeyCHYYQLUZTHIODM-UHFFFAOYSA-N
XLogP1.95
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.30
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1,2-Bis(3,5-dimethylpyrazol-1-yl)ethanone
CID 658280
1-[4-(3,5-dimethyl-1H-pyrazol-1-yl)-4-oxobutyl]-3,5-dimethyl-4-nitro-1H-pyrazole
CID 1509697
1-{[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetyl}-3,5-dimethyl-1H-pyrazole
CID 844732
5-methyl-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-(trifluoromethyl)-1H-pyrazole
CID 813457
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-ethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]acetamide
CID 35527599
N-ethyl-1-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 35527826
1-(difluoromethyl)-N-ethyl-5-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1H-pyrazole-3-carboxamide
CID 17025306
2-(3,5-Dimethyl-4-nitropyrazol-1-yl)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone
CID 40099848
1-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-4-(4-methyl-1,2,5-oxadiazol-3-yl)piperazine
CID 91829603
1-[3-[5-Methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanone
CID 122633445
1-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2,2,2-trifluoroethanone
CID 126542768
Ethane;1-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanone
CID 144862608

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-ethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 35527730) is N-ethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-ethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-ethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is CCN(Cc1nonc1C)C(=O)Cn1nc(C(F)(F)F)cc1C.
What is the InChIKey of N-ethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is CHYYQLUZTHIODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N5O2/c1-4-20(6-10-9(3)18-23-19-10)12(22)7-21-8(2)5-11(17-21)13(14,15)16/h5H,4,6-7H2,1-3H3.
What are the key properties of N-ethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-ethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 331.30 g/mol, XLogP of 1.95, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 35527730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).