N-[1-(methoxymethyl)cyclobutyl]sulfonylpyrazolo[1,5-a]pyrazine-3-carboxamide

C13H16N4O4S — CID 167767954

IUPACN-[1-(methoxymethyl)cyclobutyl]sulfonylpyrazolo[1,5-a]pyrazine-3-carboxamide
SMILESCOCC1(S(=O)(=O)NC(=O)c2cnn3ccncc23)CCC1
InChIInChI=1S/C13H16N4O4S/c1-21-9-13(3-2-4-13)22(19,20)16-12(18)10-7-15-17-6-5-14-8-11(10)17/h5-8H,2-4,9H2,1H3,(H,16,18)
InChIKeyDBISGYSWCSAJGR-UHFFFAOYSA-N
MW324.36 g/mol
LogP0.36
Rot. Bonds5

About N-[1-(methoxymethyl)cyclobutyl]sulfonylpyrazolo[1,5-a]pyrazine-3-carboxamide

N-[1-(methoxymethyl)cyclobutyl]sulfonylpyrazolo[1,5-a]pyrazine-3-carboxamide (PubChem CID 167767954) has the molecular formula C13H16N4O4S and a molecular weight of 324.36 g/mol. Its IUPAC name is N-[1-(methoxymethyl)cyclobutyl]sulfonylpyrazolo[1,5-a]pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(methoxymethyl)cyclobutyl]sulfonylpyrazolo[1,5-a]pyrazine-3-carboxamide
PubChem CID167767954
Molecular FormulaC13H16N4O4S
Molecular Weight324.36 g/mol
Exact Mass324.09
IUPAC NameN-[1-(methoxymethyl)cyclobutyl]sulfonylpyrazolo[1,5-a]pyrazine-3-carboxamide
SMILESCOCC1(S(=O)(=O)NC(=O)c2cnn3ccncc23)CCC1
InChIInChI=1S/C13H16N4O4S/c1-21-9-13(3-2-4-13)22(19,20)16-12(18)10-7-15-17-6-5-14-8-11(10)17/h5-8H,2-4,9H2,1H3,(H,16,18)
InChIKeyDBISGYSWCSAJGR-UHFFFAOYSA-N
XLogP0.36
TPSA102.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(methoxymethyl)cyclobutyl]sulfonylpyrazolo[1,5-a]pyrazine-3-carboxamide?
The IUPAC name of N-[1-(methoxymethyl)cyclobutyl]sulfonylpyrazolo[1,5-a]pyrazine-3-carboxamide (CID 167767954) is N-[1-(methoxymethyl)cyclobutyl]sulfonylpyrazolo[1,5-a]pyrazine-3-carboxamide.
What is the SMILES notation for N-[1-(methoxymethyl)cyclobutyl]sulfonylpyrazolo[1,5-a]pyrazine-3-carboxamide?
The canonical SMILES for N-[1-(methoxymethyl)cyclobutyl]sulfonylpyrazolo[1,5-a]pyrazine-3-carboxamide is COCC1(S(=O)(=O)NC(=O)c2cnn3ccncc23)CCC1.
What is the InChIKey of N-[1-(methoxymethyl)cyclobutyl]sulfonylpyrazolo[1,5-a]pyrazine-3-carboxamide?
The InChIKey is DBISGYSWCSAJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O4S/c1-21-9-13(3-2-4-13)22(19,20)16-12(18)10-7-15-17-6-5-14-8-11(10)17/h5-8H,2-4,9H2,1H3,(H,16,18).
What are the key properties of N-[1-(methoxymethyl)cyclobutyl]sulfonylpyrazolo[1,5-a]pyrazine-3-carboxamide?
N-[1-(methoxymethyl)cyclobutyl]sulfonylpyrazolo[1,5-a]pyrazine-3-carboxamide has a molecular weight of 324.36 g/mol, XLogP of 0.36, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(methoxymethyl)cyclobutyl]sulfonylpyrazolo[1,5-a]pyrazine-3-carboxamide is sourced from PubChem (CID 167767954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).