2-(difluoromethyl)-5-methyl-N-[(1S)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-3-carboxamide;2-(difluoromethyl)-5-methyl-N-[(1R)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-3-carboxamide;2-(difluoromethyl)-5-methyl-N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-3-carboxamide;methane;methyl thiohypofluorite

C56H70F7N15O6S — CID 167577297

IUPAC2-(difluoromethyl)-5-methyl-N-[(1S)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-3-carboxamide;2-(difluoromethyl)-5-methyl-N-[(1R)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-3-carboxamide;2-(difluoromethyl)-5-methyl-N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-3-carboxamide;methane;methyl thiohypofluorite
SMILESC.C.C.C.CSF.Cc1cccc(-c2noc(C(C)NC(=O)c3cc(C)nn3C(F)F)n2)c1.Cc1cccc(-c2noc([C@@H](C)NC(=O)c3cc(C)nn3C(F)F)n2)c1.Cc1cccc(-c2noc([C@H](C)NC(=O)c3cc(C)nn3C(F)F)n2)c1
InChIInChI=1S/3C17H17F2N5O2.CH3FS.4CH4/c3*1-9-5-4-6-12(7-9)14-21-16(26-23-14)11(3)20-15(25)13-8-10(2)22-24(13)17(18)19;1-3-2;;;;/h3*4-8,11,17H,1-3H3,(H,20,25);1H3;4*1H4/t2*11-;;;;;;/m10....../s1
InChIKeyGSCXOCDVIRNHOZ-KPCUFKOXSA-N
MW1214.33 g/mol
LogP14.09
Rot. Bonds15

About 2-(difluoromethyl)-5-methyl-N-[(1S)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-3-carboxamide;2-(difluoromethyl)-5-methyl-N-[(1R)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-3-carboxamide;2-(difluoromethyl)-5-methyl-N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-3-carboxamide;methane;methyl thiohypofluorite

2-(difluoromethyl)-5-methyl-N-[(1S)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-3-carboxamide;2-(difluoromethyl)-5-methyl-N-[(1R)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-3-carboxamide;2-(difluoromethyl)-5-methyl-N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-3-carboxamide;methane;methyl thiohypofluorite (PubChem CID 167577297) has the molecular formula C56H70F7N15O6S and a molecular weight of 1214.33 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-methyl-N-[(1S)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-3-carboxamide;2-(difluoromethyl)-5-methyl-N-[(1R)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-3-carboxamide;2-(difluoromethyl)-5-methyl-N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-3-carboxamide;methane;methyl thiohypofluorite.

Molecular Properties

Compound Name2-(difluoromethyl)-5-methyl-N-[(1S)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-3-carboxamide;2-(difluoromethyl)-5-methyl-N-[(1R)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-3-carboxamide;2-(difluoromethyl)-5-methyl-N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-3-carboxamide;methane;methyl thiohypofluorite
PubChem CID167577297
Molecular FormulaC56H70F7N15O6S
Molecular Weight1214.33 g/mol
Exact Mass1213.52
IUPAC Name2-(difluoromethyl)-5-methyl-N-[(1S)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-3-carboxamide;2-(difluoromethyl)-5-methyl-N-[(1R)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-3-carboxamide;2-(difluoromethyl)-5-methyl-N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-3-carboxamide;methane;methyl thiohypofluorite
SMILESC.C.C.C.CSF.Cc1cccc(-c2noc(C(C)NC(=O)c3cc(C)nn3C(F)F)n2)c1.Cc1cccc(-c2noc([C@@H](C)NC(=O)c3cc(C)nn3C(F)F)n2)c1.Cc1cccc(-c2noc([C@H](C)NC(=O)c3cc(C)nn3C(F)F)n2)c1
InChIInChI=1S/3C17H17F2N5O2.CH3FS.4CH4/c3*1-9-5-4-6-12(7-9)14-21-16(26-23-14)11(3)20-15(25)13-8-10(2)22-24(13)17(18)19;1-3-2;;;;/h3*4-8,11,17H,1-3H3,(H,20,25);1H3;4*1H4/t2*11-;;;;;;/m10....../s1
InChIKeyGSCXOCDVIRNHOZ-KPCUFKOXSA-N
XLogP14.09
TPSA257.52 Ų
H-Bond Donors3
H-Bond Acceptors19
Rotatable Bonds15
Heavy Atoms85
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001214.33
LogP ≤ 514.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1019

Analyze 2-(difluoromethyl)-5-methyl-N-[(1S)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-3-carboxamide;2-(difluoromethyl)-5-methyl-N-[(1R)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-3-carboxamide;2-(difluoromethyl)-5-methyl-N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-3-carboxamide;methane;methyl thiohypofluorite with MolForge

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Related Compounds

N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 155271902
3-ethyl-1-methyl-N-[(1S)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-5-carboxamide
CID 162665533
N-[1-[3-(3-carbamoylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 155271751
N-[1-[3-[3-(dimethylcarbamoyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 155271761
N-[2-amino-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 155271795
N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 155271903
N-[1-[3-[3-(cyanomethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 155271978
N-[(1R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 155272198
1-cyclopropyl-N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]propyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 164846709
3-(difluoromethyl)-1-methyl-N-[(1S)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-5-carboxamide
CID 164846713
N-[(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]propyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 164846717
2-(difluoromethyl)-5-methyl-N-[(1R)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-3-carboxamide
CID 164846729

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-methyl-N-[(1S)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-3-carboxamide;2-(difluoromethyl)-5-methyl-N-[(1R)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-3-carboxamide;2-(difluoromethyl)-5-methyl-N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-3-carboxamide;methane;methyl thiohypofluorite?
The IUPAC name of 2-(difluoromethyl)-5-methyl-N-[(1S)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-3-carboxamide;2-(difluoromethyl)-5-methyl-N-[(1R)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-3-carboxamide;2-(difluoromethyl)-5-methyl-N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-3-carboxamide;methane;methyl thiohypofluorite (CID 167577297) is 2-(difluoromethyl)-5-methyl-N-[(1S)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-3-carboxamide;2-(difluoromethyl)-5-methyl-N-[(1R)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-3-carboxamide;2-(difluoromethyl)-5-methyl-N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-3-carboxamide;methane;methyl thiohypofluorite.
What is the SMILES notation for 2-(difluoromethyl)-5-methyl-N-[(1S)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-3-carboxamide;2-(difluoromethyl)-5-methyl-N-[(1R)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-3-carboxamide;2-(difluoromethyl)-5-methyl-N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-3-carboxamide;methane;methyl thiohypofluorite?
The canonical SMILES for 2-(difluoromethyl)-5-methyl-N-[(1S)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-3-carboxamide;2-(difluoromethyl)-5-methyl-N-[(1R)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-3-carboxamide;2-(difluoromethyl)-5-methyl-N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-3-carboxamide;methane;methyl thiohypofluorite is C.C.C.C.CSF.Cc1cccc(-c2noc(C(C)NC(=O)c3cc(C)nn3C(F)F)n2)c1.Cc1cccc(-c2noc([C@@H](C)NC(=O)c3cc(C)nn3C(F)F)n2)c1.Cc1cccc(-c2noc([C@H](C)NC(=O)c3cc(C)nn3C(F)F)n2)c1.
What is the InChIKey of 2-(difluoromethyl)-5-methyl-N-[(1S)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-3-carboxamide;2-(difluoromethyl)-5-methyl-N-[(1R)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-3-carboxamide;2-(difluoromethyl)-5-methyl-N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-3-carboxamide;methane;methyl thiohypofluorite?
The InChIKey is GSCXOCDVIRNHOZ-KPCUFKOXSA-N. The full InChI is InChI=1S/3C17H17F2N5O2.CH3FS.4CH4/c3*1-9-5-4-6-12(7-9)14-21-16(26-23-14)11(3)20-15(25)13-8-10(2)22-24(13)17(18)19;1-3-2;;;;/h3*4-8,11,17H,1-3H3,(H,20,25);1H3;4*1H4/t2*11-;;;;;;/m10....../s1.
What are the key properties of 2-(difluoromethyl)-5-methyl-N-[(1S)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-3-carboxamide;2-(difluoromethyl)-5-methyl-N-[(1R)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-3-carboxamide;2-(difluoromethyl)-5-methyl-N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-3-carboxamide;methane;methyl thiohypofluorite?
2-(difluoromethyl)-5-methyl-N-[(1S)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-3-carboxamide;2-(difluoromethyl)-5-methyl-N-[(1R)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-3-carboxamide;2-(difluoromethyl)-5-methyl-N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-3-carboxamide;methane;methyl thiohypofluorite has a molecular weight of 1214.33 g/mol, XLogP of 14.09, 15 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-methyl-N-[(1S)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-3-carboxamide;2-(difluoromethyl)-5-methyl-N-[(1R)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-3-carboxamide;2-(difluoromethyl)-5-methyl-N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-3-carboxamide;methane;methyl thiohypofluorite is sourced from PubChem (CID 167577297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).