4-ethylsulfonyl-N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylbutan-1-amine

C13H20N4O2S — CID 103127292

IUPAC4-ethylsulfonyl-N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylbutan-1-amine
SMILESCCS(=O)(=O)CCCC(NC)c1cnn2ccncc12
InChIInChI=1S/C13H20N4O2S/c1-3-20(18,19)8-4-5-12(14-2)11-9-16-17-7-6-15-10-13(11)17/h6-7,9-10,12,14H,3-5,8H2,1-2H3
InChIKeyZURZBEMFJZLMCG-UHFFFAOYSA-N
MW296.40 g/mol
LogP1.20
Rot. Bonds7

About 4-ethylsulfonyl-N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylbutan-1-amine

4-ethylsulfonyl-N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylbutan-1-amine (PubChem CID 103127292) has the molecular formula C13H20N4O2S and a molecular weight of 296.40 g/mol. Its IUPAC name is 4-ethylsulfonyl-N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylbutan-1-amine.

Molecular Properties

Compound Name4-ethylsulfonyl-N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylbutan-1-amine
PubChem CID103127292
Molecular FormulaC13H20N4O2S
Molecular Weight296.40 g/mol
Exact Mass296.13
IUPAC Name4-ethylsulfonyl-N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylbutan-1-amine
SMILESCCS(=O)(=O)CCCC(NC)c1cnn2ccncc12
InChIInChI=1S/C13H20N4O2S/c1-3-20(18,19)8-4-5-12(14-2)11-9-16-17-7-6-15-10-13(11)17/h6-7,9-10,12,14H,3-5,8H2,1-2H3
InChIKeyZURZBEMFJZLMCG-UHFFFAOYSA-N
XLogP1.20
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-4-methylsulfonyl-1-pyrazolo[1,5-a]pyrazin-3-ylbutan-1-amine
CID 103126404
N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylpentan-1-amine
CID 103126562
4-methoxy-N,4-dimethyl-1-pyrazolo[1,5-a]pyrazin-3-ylpentan-1-amine
CID 103128455
N-ethyl-1-pyrazolo[1,5-a]pyrazin-3-ylhexan-1-amine
CID 103126621
N-methyl-3-methylidene-1-pyrazolo[1,5-a]pyrazin-3-ylpentan-1-amine
CID 103127642
2-cyclopentyl-N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine
CID 103126827
N-methyl-3-(oxolan-2-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylpropan-1-amine
CID 103127433
N-ethyl-4,4-dimethyl-1-pyrazolo[1,5-a]pyrazin-3-ylpentan-1-amine
CID 103126890
N-ethyl-3-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylbutan-1-amine
CID 103125922
N-methyl-2-(oxan-4-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine
CID 103126815
N-methyl-1-pyrazolo[1,5-a]pyridin-3-ylheptan-1-amine
CID 103126570
2-(2,5-dichlorophenyl)-N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine
CID 103127264

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylbutan-1-amine?
The IUPAC name of 4-ethylsulfonyl-N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylbutan-1-amine (CID 103127292) is 4-ethylsulfonyl-N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylbutan-1-amine.
What is the SMILES notation for 4-ethylsulfonyl-N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylbutan-1-amine?
The canonical SMILES for 4-ethylsulfonyl-N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylbutan-1-amine is CCS(=O)(=O)CCCC(NC)c1cnn2ccncc12.
What is the InChIKey of 4-ethylsulfonyl-N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylbutan-1-amine?
The InChIKey is ZURZBEMFJZLMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2S/c1-3-20(18,19)8-4-5-12(14-2)11-9-16-17-7-6-15-10-13(11)17/h6-7,9-10,12,14H,3-5,8H2,1-2H3.
What are the key properties of 4-ethylsulfonyl-N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylbutan-1-amine?
4-ethylsulfonyl-N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylbutan-1-amine has a molecular weight of 296.40 g/mol, XLogP of 1.20, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylbutan-1-amine is sourced from PubChem (CID 103127292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).