N-[[5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]ethanesulfonamide

C14H24N4O3S — CID 131660399

IUPACN-[[5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC1CN(C2CCOCC2)Cc2ccnn21
InChIInChI=1S/C14H24N4O3S/c1-2-22(19,20)16-9-14-11-17(12-4-7-21-8-5-12)10-13-3-6-15-18(13)14/h3,6,12,14,16H,2,4-5,7-11H2,1H3
InChIKeySJQMRJKSPGCCHJ-UHFFFAOYSA-N
MW328.44 g/mol
LogP0.36
Rot. Bonds5

About N-[[5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]ethanesulfonamide

N-[[5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]ethanesulfonamide (PubChem CID 131660399) has the molecular formula C14H24N4O3S and a molecular weight of 328.44 g/mol. Its IUPAC name is N-[[5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[[5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]ethanesulfonamide
PubChem CID131660399
Molecular FormulaC14H24N4O3S
Molecular Weight328.44 g/mol
Exact Mass328.16
IUPAC NameN-[[5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC1CN(C2CCOCC2)Cc2ccnn21
InChIInChI=1S/C14H24N4O3S/c1-2-22(19,20)16-9-14-11-17(12-4-7-21-8-5-12)10-13-3-6-15-18(13)14/h3,6,12,14,16H,2,4-5,7-11H2,1H3
InChIKeySJQMRJKSPGCCHJ-UHFFFAOYSA-N
XLogP0.36
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]ethanesulfonamide?
The IUPAC name of N-[[5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]ethanesulfonamide (CID 131660399) is N-[[5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]ethanesulfonamide.
What is the SMILES notation for N-[[5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]ethanesulfonamide?
The canonical SMILES for N-[[5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]ethanesulfonamide is CCS(=O)(=O)NCC1CN(C2CCOCC2)Cc2ccnn21.
What is the InChIKey of N-[[5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]ethanesulfonamide?
The InChIKey is SJQMRJKSPGCCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3S/c1-2-22(19,20)16-9-14-11-17(12-4-7-21-8-5-12)10-13-3-6-15-18(13)14/h3,6,12,14,16H,2,4-5,7-11H2,1H3.
What are the key properties of N-[[5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]ethanesulfonamide?
N-[[5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]ethanesulfonamide has a molecular weight of 328.44 g/mol, XLogP of 0.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]ethanesulfonamide is sourced from PubChem (CID 131660399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).