4-[(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-(trifluoromethyl)morpholine

C13H19F3N4O3S — CID 56895765

IUPAC4-[(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-(trifluoromethyl)morpholine
SMILESCS(=O)(=O)N1CCn2nc(CN3CCOC(C(F)(F)F)C3)cc2C1
InChIInChI=1S/C13H19F3N4O3S/c1-24(21,22)19-2-3-20-11(8-19)6-10(17-20)7-18-4-5-23-12(9-18)13(14,15)16/h6,12H,2-5,7-9H2,1H3
InChIKeyMLELCWKZMOUPFS-UHFFFAOYSA-N
MW368.38 g/mol
LogP0.42
Rot. Bonds3

About 4-[(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-(trifluoromethyl)morpholine

4-[(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-(trifluoromethyl)morpholine (PubChem CID 56895765) has the molecular formula C13H19F3N4O3S and a molecular weight of 368.38 g/mol. Its IUPAC name is 4-[(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-(trifluoromethyl)morpholine.

Molecular Properties

Compound Name4-[(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-(trifluoromethyl)morpholine
PubChem CID56895765
Molecular FormulaC13H19F3N4O3S
Molecular Weight368.38 g/mol
Exact Mass368.11
IUPAC Name4-[(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-(trifluoromethyl)morpholine
SMILESCS(=O)(=O)N1CCn2nc(CN3CCOC(C(F)(F)F)C3)cc2C1
InChIInChI=1S/C13H19F3N4O3S/c1-24(21,22)19-2-3-20-11(8-19)6-10(17-20)7-18-4-5-23-12(9-18)13(14,15)16/h6,12H,2-5,7-9H2,1H3
InChIKeyMLELCWKZMOUPFS-UHFFFAOYSA-N
XLogP0.42
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.38
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-(trifluoromethyl)morpholine?
The IUPAC name of 4-[(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-(trifluoromethyl)morpholine (CID 56895765) is 4-[(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-(trifluoromethyl)morpholine.
What is the SMILES notation for 4-[(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-(trifluoromethyl)morpholine?
The canonical SMILES for 4-[(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-(trifluoromethyl)morpholine is CS(=O)(=O)N1CCn2nc(CN3CCOC(C(F)(F)F)C3)cc2C1.
What is the InChIKey of 4-[(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-(trifluoromethyl)morpholine?
The InChIKey is MLELCWKZMOUPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O3S/c1-24(21,22)19-2-3-20-11(8-19)6-10(17-20)7-18-4-5-23-12(9-18)13(14,15)16/h6,12H,2-5,7-9H2,1H3.
What are the key properties of 4-[(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-(trifluoromethyl)morpholine?
4-[(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-(trifluoromethyl)morpholine has a molecular weight of 368.38 g/mol, XLogP of 0.42, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-(trifluoromethyl)morpholine is sourced from PubChem (CID 56895765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).