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

C10H12F3N5O3S — CID 126823254

IUPAC1-ethyl-N-[1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NC(C)c2nc(C(F)(F)F)no2)cn1
InChIInChI=1S/C10H12F3N5O3S/c1-3-18-5-7(4-14-18)22(19,20)17-6(2)8-15-9(16-21-8)10(11,12)13/h4-6,17H,3H2,1-2H3
InChIKeyBDUVEQYNDAAMQD-UHFFFAOYSA-N
MW339.30 g/mol
LogP1.34
Rot. Bonds5

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

1-ethyl-N-[1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-4-sulfonamide (PubChem CID 126823254) has the molecular formula C10H12F3N5O3S and a molecular weight of 339.30 g/mol. Its IUPAC name is 1-ethyl-N-[1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-[1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-4-sulfonamide
PubChem CID126823254
Molecular FormulaC10H12F3N5O3S
Molecular Weight339.30 g/mol
Exact Mass339.06
IUPAC Name1-ethyl-N-[1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NC(C)c2nc(C(F)(F)F)no2)cn1
InChIInChI=1S/C10H12F3N5O3S/c1-3-18-5-7(4-14-18)22(19,20)17-6(2)8-15-9(16-21-8)10(11,12)13/h4-6,17H,3H2,1-2H3
InChIKeyBDUVEQYNDAAMQD-UHFFFAOYSA-N
XLogP1.34
TPSA102.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.30
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N-[1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-4-sulfonamide (CID 126823254) is 1-ethyl-N-[1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-N-[1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N-[1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)NC(C)c2nc(C(F)(F)F)no2)cn1.
What is the InChIKey of 1-ethyl-N-[1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-4-sulfonamide?
The InChIKey is BDUVEQYNDAAMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N5O3S/c1-3-18-5-7(4-14-18)22(19,20)17-6(2)8-15-9(16-21-8)10(11,12)13/h4-6,17H,3H2,1-2H3.
What are the key properties of 1-ethyl-N-[1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-4-sulfonamide?
1-ethyl-N-[1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-4-sulfonamide has a molecular weight of 339.30 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 126823254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).