N-(2-methylsulfanylethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine

C10H11F3N4S — CID 104731528

IUPACN-(2-methylsulfanylethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
SMILESCSCCNc1nccn2nc(C(F)(F)F)cc12
InChIInChI=1S/C10H11F3N4S/c1-18-5-3-15-9-7-6-8(10(11,12)13)16-17(7)4-2-14-9/h2,4,6H,3,5H2,1H3,(H,14,15)
InChIKeyGFCMSKUYQLRRIZ-UHFFFAOYSA-N
MW276.29 g/mol
LogP2.52
Rot. Bonds4

About N-(2-methylsulfanylethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine

N-(2-methylsulfanylethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine (PubChem CID 104731528) has the molecular formula C10H11F3N4S and a molecular weight of 276.29 g/mol. Its IUPAC name is N-(2-methylsulfanylethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine.

Molecular Properties

Compound NameN-(2-methylsulfanylethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
PubChem CID104731528
Molecular FormulaC10H11F3N4S
Molecular Weight276.29 g/mol
Exact Mass276.07
IUPAC NameN-(2-methylsulfanylethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
SMILESCSCCNc1nccn2nc(C(F)(F)F)cc12
InChIInChI=1S/C10H11F3N4S/c1-18-5-3-15-9-7-6-8(10(11,12)13)16-17(7)4-2-14-9/h2,4,6H,3,5H2,1H3,(H,14,15)
InChIKeyGFCMSKUYQLRRIZ-UHFFFAOYSA-N
XLogP2.52
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanylethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine?
The IUPAC name of N-(2-methylsulfanylethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine (CID 104731528) is N-(2-methylsulfanylethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine.
What is the SMILES notation for N-(2-methylsulfanylethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine?
The canonical SMILES for N-(2-methylsulfanylethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine is CSCCNc1nccn2nc(C(F)(F)F)cc12.
What is the InChIKey of N-(2-methylsulfanylethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine?
The InChIKey is GFCMSKUYQLRRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4S/c1-18-5-3-15-9-7-6-8(10(11,12)13)16-17(7)4-2-14-9/h2,4,6H,3,5H2,1H3,(H,14,15).
What are the key properties of N-(2-methylsulfanylethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine?
N-(2-methylsulfanylethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine has a molecular weight of 276.29 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine is sourced from PubChem (CID 104731528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).