N-(1-methylsulfonylpropan-2-yl)pyrazolo[1,5-a]pyrazin-4-amine

C10H14N4O2S — CID 104731650

IUPACN-(1-methylsulfonylpropan-2-yl)pyrazolo[1,5-a]pyrazin-4-amine
SMILESCC(CS(C)(=O)=O)Nc1nccn2nccc12
InChIInChI=1S/C10H14N4O2S/c1-8(7-17(2,15)16)13-10-9-3-4-12-14(9)6-5-11-10/h3-6,8H,7H2,1-2H3,(H,11,13)
InChIKeyISWHHGWAOQUPLW-UHFFFAOYSA-N
MW254.32 g/mol
LogP0.57
Rot. Bonds4

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

N-(1-methylsulfonylpropan-2-yl)pyrazolo[1,5-a]pyrazin-4-amine (PubChem CID 104731650) has the molecular formula C10H14N4O2S and a molecular weight of 254.32 g/mol. Its IUPAC name is N-(1-methylsulfonylpropan-2-yl)pyrazolo[1,5-a]pyrazin-4-amine.

Molecular Properties

Compound NameN-(1-methylsulfonylpropan-2-yl)pyrazolo[1,5-a]pyrazin-4-amine
PubChem CID104731650
Molecular FormulaC10H14N4O2S
Molecular Weight254.32 g/mol
Exact Mass254.08
IUPAC NameN-(1-methylsulfonylpropan-2-yl)pyrazolo[1,5-a]pyrazin-4-amine
SMILESCC(CS(C)(=O)=O)Nc1nccn2nccc12
InChIInChI=1S/C10H14N4O2S/c1-8(7-17(2,15)16)13-10-9-3-4-12-14(9)6-5-11-10/h3-6,8H,7H2,1-2H3,(H,11,13)
InChIKeyISWHHGWAOQUPLW-UHFFFAOYSA-N
XLogP0.57
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylsulfonylpropan-2-yl)pyrazolo[1,5-a]pyrazin-4-amine?
The IUPAC name of N-(1-methylsulfonylpropan-2-yl)pyrazolo[1,5-a]pyrazin-4-amine (CID 104731650) is N-(1-methylsulfonylpropan-2-yl)pyrazolo[1,5-a]pyrazin-4-amine.
What is the SMILES notation for N-(1-methylsulfonylpropan-2-yl)pyrazolo[1,5-a]pyrazin-4-amine?
The canonical SMILES for N-(1-methylsulfonylpropan-2-yl)pyrazolo[1,5-a]pyrazin-4-amine is CC(CS(C)(=O)=O)Nc1nccn2nccc12.
What is the InChIKey of N-(1-methylsulfonylpropan-2-yl)pyrazolo[1,5-a]pyrazin-4-amine?
The InChIKey is ISWHHGWAOQUPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2S/c1-8(7-17(2,15)16)13-10-9-3-4-12-14(9)6-5-11-10/h3-6,8H,7H2,1-2H3,(H,11,13).
What are the key properties of N-(1-methylsulfonylpropan-2-yl)pyrazolo[1,5-a]pyrazin-4-amine?
N-(1-methylsulfonylpropan-2-yl)pyrazolo[1,5-a]pyrazin-4-amine has a molecular weight of 254.32 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylsulfonylpropan-2-yl)pyrazolo[1,5-a]pyrazin-4-amine is sourced from PubChem (CID 104731650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).