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

C12H18N4O2S — CID 103126404

IUPACN-methyl-4-methylsulfonyl-1-pyrazolo[1,5-a]pyrazin-3-ylbutan-1-amine
SMILESCNC(CCCS(C)(=O)=O)c1cnn2ccncc12
InChIInChI=1S/C12H18N4O2S/c1-13-11(4-3-7-19(2,17)18)10-8-15-16-6-5-14-9-12(10)16/h5-6,8-9,11,13H,3-4,7H2,1-2H3
InChIKeyBBBUPQMQSRIXPL-UHFFFAOYSA-N
MW282.37 g/mol
LogP0.81
Rot. Bonds6

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

N-methyl-4-methylsulfonyl-1-pyrazolo[1,5-a]pyrazin-3-ylbutan-1-amine (PubChem CID 103126404) has the molecular formula C12H18N4O2S and a molecular weight of 282.37 g/mol. Its IUPAC name is N-methyl-4-methylsulfonyl-1-pyrazolo[1,5-a]pyrazin-3-ylbutan-1-amine.

Molecular Properties

Compound NameN-methyl-4-methylsulfonyl-1-pyrazolo[1,5-a]pyrazin-3-ylbutan-1-amine
PubChem CID103126404
Molecular FormulaC12H18N4O2S
Molecular Weight282.37 g/mol
Exact Mass282.12
IUPAC NameN-methyl-4-methylsulfonyl-1-pyrazolo[1,5-a]pyrazin-3-ylbutan-1-amine
SMILESCNC(CCCS(C)(=O)=O)c1cnn2ccncc12
InChIInChI=1S/C12H18N4O2S/c1-13-11(4-3-7-19(2,17)18)10-8-15-16-6-5-14-9-12(10)16/h5-6,8-9,11,13H,3-4,7H2,1-2H3
InChIKeyBBBUPQMQSRIXPL-UHFFFAOYSA-N
XLogP0.81
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethylsulfonyl-N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylbutan-1-amine
CID 103127292
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
2-cyclopentyl-N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine
CID 103126827
N-methyl-3-methylidene-1-pyrazolo[1,5-a]pyrazin-3-ylpentan-1-amine
CID 103127642
N-methyl-3-(oxolan-2-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylpropan-1-amine
CID 103127433
N-methyl-4-methylsulfonyl-1-pyrazin-2-ylbutan-1-amine
CID 63192034
4-methylsulfonyl-1-pyrazolo[1,5-a]pyrazin-3-ylbutan-1-one
CID 103124100
N-methyl-2-(oxan-4-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine
CID 103126815
N-methyl-4-methylsulfonyl-1-pyridin-4-ylbutan-1-amine
CID 63192032
2-(4-bromo-2-chlorophenyl)-N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine
CID 103128151

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-methylsulfonyl-1-pyrazolo[1,5-a]pyrazin-3-ylbutan-1-amine?
The IUPAC name of N-methyl-4-methylsulfonyl-1-pyrazolo[1,5-a]pyrazin-3-ylbutan-1-amine (CID 103126404) is N-methyl-4-methylsulfonyl-1-pyrazolo[1,5-a]pyrazin-3-ylbutan-1-amine.
What is the SMILES notation for N-methyl-4-methylsulfonyl-1-pyrazolo[1,5-a]pyrazin-3-ylbutan-1-amine?
The canonical SMILES for N-methyl-4-methylsulfonyl-1-pyrazolo[1,5-a]pyrazin-3-ylbutan-1-amine is CNC(CCCS(C)(=O)=O)c1cnn2ccncc12.
What is the InChIKey of N-methyl-4-methylsulfonyl-1-pyrazolo[1,5-a]pyrazin-3-ylbutan-1-amine?
The InChIKey is BBBUPQMQSRIXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S/c1-13-11(4-3-7-19(2,17)18)10-8-15-16-6-5-14-9-12(10)16/h5-6,8-9,11,13H,3-4,7H2,1-2H3.
What are the key properties of N-methyl-4-methylsulfonyl-1-pyrazolo[1,5-a]pyrazin-3-ylbutan-1-amine?
N-methyl-4-methylsulfonyl-1-pyrazolo[1,5-a]pyrazin-3-ylbutan-1-amine has a molecular weight of 282.37 g/mol, XLogP of 0.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-methylsulfonyl-1-pyrazolo[1,5-a]pyrazin-3-ylbutan-1-amine is sourced from PubChem (CID 103126404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).