N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine

C11H9F3N4O2S — CID 104731763

IUPACN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
SMILESO=S1(=O)C=CC(Nc2nccn3nc(C(F)(F)F)cc23)C1
InChIInChI=1S/C11H9F3N4O2S/c12-11(13,14)9-5-8-10(15-2-3-18(8)17-9)16-7-1-4-21(19,20)6-7/h1-5,7H,6H2,(H,15,16)
InChIKeyYEOLTYONGJXCEP-UHFFFAOYSA-N
MW318.28 g/mol
LogP1.47
Rot. Bonds2

About N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine

N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine (PubChem CID 104731763) has the molecular formula C11H9F3N4O2S and a molecular weight of 318.28 g/mol. Its IUPAC name is N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine.

Molecular Properties

Compound NameN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
PubChem CID104731763
Molecular FormulaC11H9F3N4O2S
Molecular Weight318.28 g/mol
Exact Mass318.04
IUPAC NameN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
SMILESO=S1(=O)C=CC(Nc2nccn3nc(C(F)(F)F)cc23)C1
InChIInChI=1S/C11H9F3N4O2S/c12-11(13,14)9-5-8-10(15-2-3-18(8)17-9)16-7-1-4-21(19,20)6-7/h1-5,7H,6H2,(H,15,16)
InChIKeyYEOLTYONGJXCEP-UHFFFAOYSA-N
XLogP1.47
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.28
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine?
The IUPAC name of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine (CID 104731763) is N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine.
What is the SMILES notation for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine?
The canonical SMILES for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine is O=S1(=O)C=CC(Nc2nccn3nc(C(F)(F)F)cc23)C1.
What is the InChIKey of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine?
The InChIKey is YEOLTYONGJXCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4O2S/c12-11(13,14)9-5-8-10(15-2-3-18(8)17-9)16-7-1-4-21(19,20)6-7/h1-5,7H,6H2,(H,15,16).
What are the key properties of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine?
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine has a molecular weight of 318.28 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine is sourced from PubChem (CID 104731763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).