(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)-morpholin-4-ylmethanone

C12H18N4O4S — CID 134788980

IUPAC(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)-morpholin-4-ylmethanone
SMILESCS(=O)(=O)N1CCn2ncc(C(=O)N3CCOCC3)c2C1
InChIInChI=1S/C12H18N4O4S/c1-21(18,19)15-2-3-16-11(9-15)10(8-13-16)12(17)14-4-6-20-7-5-14/h8H,2-7,9H2,1H3
InChIKeyMLEYJHODBAWCQI-UHFFFAOYSA-N
MW314.37 g/mol
LogP-0.87
Rot. Bonds2

About (5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)-morpholin-4-ylmethanone

(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)-morpholin-4-ylmethanone (PubChem CID 134788980) has the molecular formula C12H18N4O4S and a molecular weight of 314.37 g/mol. Its IUPAC name is (5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)-morpholin-4-ylmethanone
PubChem CID134788980
Molecular FormulaC12H18N4O4S
Molecular Weight314.37 g/mol
Exact Mass314.10
IUPAC Name(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)-morpholin-4-ylmethanone
SMILESCS(=O)(=O)N1CCn2ncc(C(=O)N3CCOCC3)c2C1
InChIInChI=1S/C12H18N4O4S/c1-21(18,19)15-2-3-16-11(9-15)10(8-13-16)12(17)14-4-6-20-7-5-14/h8H,2-7,9H2,1H3
InChIKeyMLEYJHODBAWCQI-UHFFFAOYSA-N
XLogP-0.87
TPSA84.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 5-0.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)-morpholin-4-ylmethanone?
The IUPAC name of (5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)-morpholin-4-ylmethanone (CID 134788980) is (5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)-morpholin-4-ylmethanone is CS(=O)(=O)N1CCn2ncc(C(=O)N3CCOCC3)c2C1.
What is the InChIKey of (5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)-morpholin-4-ylmethanone?
The InChIKey is MLEYJHODBAWCQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O4S/c1-21(18,19)15-2-3-16-11(9-15)10(8-13-16)12(17)14-4-6-20-7-5-14/h8H,2-7,9H2,1H3.
What are the key properties of (5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)-morpholin-4-ylmethanone?
(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)-morpholin-4-ylmethanone has a molecular weight of 314.37 g/mol, XLogP of -0.87, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 134788980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).