N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]propyl]methanesulfonamide

C11H17N5O2S — CID 104918847

IUPACN-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]propyl]methanesulfonamide
SMILESCc1cc2c(NCCCNS(C)(=O)=O)nccn2n1
InChIInChI=1S/C11H17N5O2S/c1-9-8-10-11(13-6-7-16(10)15-9)12-4-3-5-14-19(2,17)18/h6-8,14H,3-5H2,1-2H3,(H,12,13)
InChIKeyDWRCYOOIIOQZOC-UHFFFAOYSA-N
MW283.36 g/mol
LogP0.39
Rot. Bonds6

About N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]propyl]methanesulfonamide

N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]propyl]methanesulfonamide (PubChem CID 104918847) has the molecular formula C11H17N5O2S and a molecular weight of 283.36 g/mol. Its IUPAC name is N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]propyl]methanesulfonamide
PubChem CID104918847
Molecular FormulaC11H17N5O2S
Molecular Weight283.36 g/mol
Exact Mass283.11
IUPAC NameN-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]propyl]methanesulfonamide
SMILESCc1cc2c(NCCCNS(C)(=O)=O)nccn2n1
InChIInChI=1S/C11H17N5O2S/c1-9-8-10-11(13-6-7-16(10)15-9)12-4-3-5-14-19(2,17)18/h6-8,14H,3-5H2,1-2H3,(H,12,13)
InChIKeyDWRCYOOIIOQZOC-UHFFFAOYSA-N
XLogP0.39
TPSA88.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]propyl]methanesulfonamide?
The IUPAC name of N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]propyl]methanesulfonamide (CID 104918847) is N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]propyl]methanesulfonamide.
What is the SMILES notation for N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]propyl]methanesulfonamide?
The canonical SMILES for N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]propyl]methanesulfonamide is Cc1cc2c(NCCCNS(C)(=O)=O)nccn2n1.
What is the InChIKey of N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]propyl]methanesulfonamide?
The InChIKey is DWRCYOOIIOQZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2S/c1-9-8-10-11(13-6-7-16(10)15-9)12-4-3-5-14-19(2,17)18/h6-8,14H,3-5H2,1-2H3,(H,12,13).
What are the key properties of N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]propyl]methanesulfonamide?
N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]propyl]methanesulfonamide has a molecular weight of 283.36 g/mol, XLogP of 0.39, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]propyl]methanesulfonamide is sourced from PubChem (CID 104918847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).