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

C16H15F3N6O4S — CID 155272331

IUPAC1-methyl-N-[1-[3-(3-sulfamoylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCC(NC(=O)c1cc(C(F)(F)F)nn1C)c1nc(-c2cccc(S(N)(=O)=O)c2)no1
InChIInChI=1S/C16H15F3N6O4S/c1-8(21-14(26)11-7-12(16(17,18)19)23-25(11)2)15-22-13(24-29-15)9-4-3-5-10(6-9)30(20,27)28/h3-8H,1-2H3,(H,21,26)(H2,20,27,28)
InChIKeyQGNPOZMKUOAMCH-UHFFFAOYSA-N
MW444.40 g/mol
LogP1.63
Rot. Bonds5

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

1-methyl-N-[1-[3-(3-sulfamoylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 155272331) has the molecular formula C16H15F3N6O4S and a molecular weight of 444.40 g/mol. Its IUPAC name is 1-methyl-N-[1-[3-(3-sulfamoylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[1-[3-(3-sulfamoylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID155272331
Molecular FormulaC16H15F3N6O4S
Molecular Weight444.40 g/mol
Exact Mass444.08
IUPAC Name1-methyl-N-[1-[3-(3-sulfamoylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCC(NC(=O)c1cc(C(F)(F)F)nn1C)c1nc(-c2cccc(S(N)(=O)=O)c2)no1
InChIInChI=1S/C16H15F3N6O4S/c1-8(21-14(26)11-7-12(16(17,18)19)23-25(11)2)15-22-13(24-29-15)9-4-3-5-10(6-9)30(20,27)28/h3-8H,1-2H3,(H,21,26)(H2,20,27,28)
InChIKeyQGNPOZMKUOAMCH-UHFFFAOYSA-N
XLogP1.63
TPSA146.00 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.40
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[1-[3-(3-sulfamoylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-N-[1-[3-(3-sulfamoylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 155272331) is 1-methyl-N-[1-[3-(3-sulfamoylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-[1-[3-(3-sulfamoylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-[1-[3-(3-sulfamoylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide is CC(NC(=O)c1cc(C(F)(F)F)nn1C)c1nc(-c2cccc(S(N)(=O)=O)c2)no1.
What is the InChIKey of 1-methyl-N-[1-[3-(3-sulfamoylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is QGNPOZMKUOAMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N6O4S/c1-8(21-14(26)11-7-12(16(17,18)19)23-25(11)2)15-22-13(24-29-15)9-4-3-5-10(6-9)30(20,27)28/h3-8H,1-2H3,(H,21,26)(H2,20,27,28).
What are the key properties of 1-methyl-N-[1-[3-(3-sulfamoylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
1-methyl-N-[1-[3-(3-sulfamoylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 444.40 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[1-[3-(3-sulfamoylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 155272331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).