4-(methoxymethyl)-2-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole

C8H13N3O3S — CID 174771451

IUPAC4-(methoxymethyl)-2-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
SMILESCOCC1NCc2nn(S(C)(=O)=O)cc21
InChIInChI=1S/C8H13N3O3S/c1-14-5-8-6-4-11(15(2,12)13)10-7(6)3-9-8/h4,8-9H,3,5H2,1-2H3
InChIKeyIDRFTZTYYVOQGR-UHFFFAOYSA-N
MW231.28 g/mol
LogP-0.52
Rot. Bonds3

About 4-(methoxymethyl)-2-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole

4-(methoxymethyl)-2-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole (PubChem CID 174771451) has the molecular formula C8H13N3O3S and a molecular weight of 231.28 g/mol. Its IUPAC name is 4-(methoxymethyl)-2-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole.

Molecular Properties

Compound Name4-(methoxymethyl)-2-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
PubChem CID174771451
Molecular FormulaC8H13N3O3S
Molecular Weight231.28 g/mol
Exact Mass231.07
IUPAC Name4-(methoxymethyl)-2-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
SMILESCOCC1NCc2nn(S(C)(=O)=O)cc21
InChIInChI=1S/C8H13N3O3S/c1-14-5-8-6-4-11(15(2,12)13)10-7(6)3-9-8/h4,8-9H,3,5H2,1-2H3
InChIKeyIDRFTZTYYVOQGR-UHFFFAOYSA-N
XLogP-0.52
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-2-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole?
The IUPAC name of 4-(methoxymethyl)-2-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole (CID 174771451) is 4-(methoxymethyl)-2-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole.
What is the SMILES notation for 4-(methoxymethyl)-2-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole?
The canonical SMILES for 4-(methoxymethyl)-2-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole is COCC1NCc2nn(S(C)(=O)=O)cc21.
What is the InChIKey of 4-(methoxymethyl)-2-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole?
The InChIKey is IDRFTZTYYVOQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3S/c1-14-5-8-6-4-11(15(2,12)13)10-7(6)3-9-8/h4,8-9H,3,5H2,1-2H3.
What are the key properties of 4-(methoxymethyl)-2-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole?
4-(methoxymethyl)-2-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole has a molecular weight of 231.28 g/mol, XLogP of -0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-2-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole is sourced from PubChem (CID 174771451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).