N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

C11H6F3N5O2S — CID 155235610

IUPACN-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1nnc(-c2cccs2)o1)c1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C11H6F3N5O2S/c12-11(13,14)7-4-5(16-17-7)8(20)15-10-19-18-9(21-10)6-2-1-3-22-6/h1-4H,(H,16,17)(H,15,19,20)
InChIKeySTVGNILCICZUSY-UHFFFAOYSA-N
MW329.26 g/mol
LogP2.79
Rot. Bonds3

About N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide (PubChem CID 155235610) has the molecular formula C11H6F3N5O2S and a molecular weight of 329.26 g/mol. Its IUPAC name is N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
PubChem CID155235610
Molecular FormulaC11H6F3N5O2S
Molecular Weight329.26 g/mol
Exact Mass329.02
IUPAC NameN-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1nnc(-c2cccs2)o1)c1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C11H6F3N5O2S/c12-11(13,14)7-4-5(16-17-7)8(20)15-10-19-18-9(21-10)6-2-1-3-22-6/h1-4H,(H,16,17)(H,15,19,20)
InChIKeySTVGNILCICZUSY-UHFFFAOYSA-N
XLogP2.79
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.26
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-fluoro-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 4986401
3,5-dinitro-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 4536722
5-chloro-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)thiophene-2-carboxamide
CID 3688984
4-methyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)thiadiazole-5-carboxamide
CID 45496806
2-bromo-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 4078289
2-iodo-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 4536716
2-phenyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)quinoline-4-carboxamide
CID 2104460
5-(trifluoromethyl)-N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-3-carboxamide
CID 19508083
4-propan-2-ylsulfanyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 18587122
1-cyclopentyl-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)urea
CID 52906577
N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethylsulfanyl)benzamide;N-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethylsulfanyl)benzamide;N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)-4-(trifluoromethylsulfanyl)benzamide
CID 167595071
3-thiophen-2-yl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,2,4-oxadiazole
CID 19332878

Frequently Asked Questions

What is the IUPAC name of N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide (CID 155235610) is N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide is O=C(Nc1nnc(-c2cccs2)o1)c1cc(C(F)(F)F)[nH]n1.
What is the InChIKey of N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is STVGNILCICZUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F3N5O2S/c12-11(13,14)7-4-5(16-17-7)8(20)15-10-19-18-9(21-10)6-2-1-3-22-6/h1-4H,(H,16,17)(H,15,19,20).
What are the key properties of N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 329.26 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 155235610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).