2-thiophen-2-yl-5-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one

C20H12F3N5O2S — CID 27373006

IUPAC2-thiophen-2-yl-5-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one
SMILESO=c1c2cc(-c3cccs3)nn2ccn1Cc1nc(-c2cccc(C(F)(F)F)c2)no1
InChIInChI=1S/C20H12F3N5O2S/c21-20(22,23)13-4-1-3-12(9-13)18-24-17(30-26-18)11-27-6-7-28-15(19(27)29)10-14(25-28)16-5-2-8-31-16/h1-10H,11H2
InChIKeyHLAVOWIPDHQZQI-UHFFFAOYSA-N
MW443.41 g/mol
LogP4.34
Rot. Bonds4

About 2-thiophen-2-yl-5-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one

2-thiophen-2-yl-5-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 27373006) has the molecular formula C20H12F3N5O2S and a molecular weight of 443.41 g/mol. Its IUPAC name is 2-thiophen-2-yl-5-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name2-thiophen-2-yl-5-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one
PubChem CID27373006
Molecular FormulaC20H12F3N5O2S
Molecular Weight443.41 g/mol
Exact Mass443.07
IUPAC Name2-thiophen-2-yl-5-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one
SMILESO=c1c2cc(-c3cccs3)nn2ccn1Cc1nc(-c2cccc(C(F)(F)F)c2)no1
InChIInChI=1S/C20H12F3N5O2S/c21-20(22,23)13-4-1-3-12(9-13)18-24-17(30-26-18)11-27-6-7-28-15(19(27)29)10-14(25-28)16-5-2-8-31-16/h1-10H,11H2
InChIKeyHLAVOWIPDHQZQI-UHFFFAOYSA-N
XLogP4.34
TPSA78.22 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.41
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2,6-difluorophenyl)-5-[1-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrazol-5-yl]thiophene-2-carboxamide
CID 66779429
[(8R)-3-(2,5-dimethylpyrazol-3-yl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-thiophen-2-ylphenyl)methanone
CID 71549911
2-(4-ethylphenyl)-5-({3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-4H,5H-pyrazolo[1,5-a]pyrazin-4-one
CID 27372686
3-(3-Fluorophenyl)-5-[1-methyl-5-(thiophene-2-carbonyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-C]pyridin-3-YL]-1,2,4-oxadiazole
CID 53018607
2-(4-fluorophenyl)-5-({3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-4H,5H-pyrazolo[1,5-a]pyrazin-4-one
CID 27372913
2-(4-fluorophenyl)-5-({3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-4H,5H-pyrazolo[1,5-a]pyrazin-4-one
CID 27372934
5-{[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-2-(thiophen-2-yl)-4H,5H-pyrazolo[1,5-a]pyrazin-4-one
CID 27373009
2-(thiophen-2-yl)-7-[({3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)sulfanyl]-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-4-one
CID 27373885
7-({[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-2-(thiophen-2-yl)-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-4-one
CID 27373890
3-(4-Fluorophenyl)-5-[1-methyl-5-(5-methylthiophene-2-carbonyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-C]pyridin-3-YL]-1,2,4-oxadiazole
CID 53018553
3-(4-Fluorophenyl)-5-[1-methyl-5-(thiophene-2-carbonyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-C]pyridin-3-YL]-1,2,4-oxadiazole
CID 53018569
N-cyclohexyl-2-[(8-pyrrolidin-1-yl[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio]acetamide
CID 53018623

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-5-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 2-thiophen-2-yl-5-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one (CID 27373006) is 2-thiophen-2-yl-5-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 2-thiophen-2-yl-5-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 2-thiophen-2-yl-5-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one is O=c1c2cc(-c3cccs3)nn2ccn1Cc1nc(-c2cccc(C(F)(F)F)c2)no1.
What is the InChIKey of 2-thiophen-2-yl-5-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is HLAVOWIPDHQZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F3N5O2S/c21-20(22,23)13-4-1-3-12(9-13)18-24-17(30-26-18)11-27-6-7-28-15(19(27)29)10-14(25-28)16-5-2-8-31-16/h1-10H,11H2.
What are the key properties of 2-thiophen-2-yl-5-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one?
2-thiophen-2-yl-5-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 443.41 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-5-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 27373006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).