N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylsulfonylethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

C17H15F4N5O4S — CID 167186084

IUPACN-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylsulfonylethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCn1nc(C(F)(F)F)cc1C(=O)NC(CS(C)(=O)=O)c1nc(-c2cccc(F)c2)no1
InChIInChI=1S/C17H15F4N5O4S/c1-26-12(7-13(24-26)17(19,20)21)15(27)22-11(8-31(2,28)29)16-23-14(25-30-16)9-4-3-5-10(18)6-9/h3-7,11H,8H2,1-2H3,(H,22,27)
InChIKeyQQZDMFONRCPEQB-UHFFFAOYSA-N
MW461.40 g/mol
LogP2.14
Rot. Bonds6

About N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylsulfonylethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylsulfonylethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 167186084) has the molecular formula C17H15F4N5O4S and a molecular weight of 461.40 g/mol. Its IUPAC name is N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylsulfonylethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylsulfonylethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID167186084
Molecular FormulaC17H15F4N5O4S
Molecular Weight461.40 g/mol
Exact Mass461.08
IUPAC NameN-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylsulfonylethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCn1nc(C(F)(F)F)cc1C(=O)NC(CS(C)(=O)=O)c1nc(-c2cccc(F)c2)no1
InChIInChI=1S/C17H15F4N5O4S/c1-26-12(7-13(24-26)17(19,20)21)15(27)22-11(8-31(2,28)29)16-23-14(25-30-16)9-4-3-5-10(18)6-9/h3-7,11H,8H2,1-2H3,(H,22,27)
InChIKeyQQZDMFONRCPEQB-UHFFFAOYSA-N
XLogP2.14
TPSA119.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.40
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylsulfonylethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-cyclopropyl-N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]propyl]-1-methylpyrazole-5-carboxamide
CID 164846738
N-[(1S)-1-[3-(3-cyanophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 167186039
3-(difluoromethyl)-N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methylpyrazole-5-carboxamide
CID 167186052
N-[(1S)-1-[3-(2-ethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 155271905
N-[1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-(difluoromethyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 164846753
N-[(1S)-1-[3-(3-bromo-4-ethylphenyl)-1,2,4-oxadiazol-5-yl]prop-2-enyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 155281073
1-methyl-N-[(1S)-1-[3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 155271847
N-[1-[3-[2-(3,3-difluoroazetidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 155272405
N-[(1S)-1-[3-(2-cyclobutyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 155272367
N-[(1S)-1-[3-(2-cyclopropyloxy-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 155271733
1-benzyl-3-(trifluoromethyl)-N-[1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-5-carboxamide
CID 155272251
1-methyl-N-(1-phenylpropyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19477518

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylsulfonylethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylsulfonylethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 167186084) is N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylsulfonylethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylsulfonylethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylsulfonylethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is Cn1nc(C(F)(F)F)cc1C(=O)NC(CS(C)(=O)=O)c1nc(-c2cccc(F)c2)no1.
What is the InChIKey of N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylsulfonylethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is QQZDMFONRCPEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F4N5O4S/c1-26-12(7-13(24-26)17(19,20)21)15(27)22-11(8-31(2,28)29)16-23-14(25-30-16)9-4-3-5-10(18)6-9/h3-7,11H,8H2,1-2H3,(H,22,27).
What are the key properties of N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylsulfonylethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylsulfonylethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 461.40 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylsulfonylethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 167186084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).