3-[2-(1,2-dihydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-N,N-dimethylpropane-1-sulfonamide

C13H24N4O4S — CID 91779057

IUPAC3-[2-(1,2-dihydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-N,N-dimethylpropane-1-sulfonamide
SMILESCN(C)S(=O)(=O)CCCN1CCn2nc(C(O)CO)cc2C1
InChIInChI=1S/C13H24N4O4S/c1-15(2)22(20,21)7-3-4-16-5-6-17-11(9-16)8-12(14-17)13(19)10-18/h8,13,18-19H,3-7,9-10H2,1-2H3
InChIKeyVKTBGZVUSBHDAE-UHFFFAOYSA-N
MW332.43 g/mol
LogP-0.99
Rot. Bonds7

About 3-[2-(1,2-dihydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-N,N-dimethylpropane-1-sulfonamide

3-[2-(1,2-dihydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-N,N-dimethylpropane-1-sulfonamide (PubChem CID 91779057) has the molecular formula C13H24N4O4S and a molecular weight of 332.43 g/mol. Its IUPAC name is 3-[2-(1,2-dihydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-N,N-dimethylpropane-1-sulfonamide.

Molecular Properties

Compound Name3-[2-(1,2-dihydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-N,N-dimethylpropane-1-sulfonamide
PubChem CID91779057
Molecular FormulaC13H24N4O4S
Molecular Weight332.43 g/mol
Exact Mass332.15
IUPAC Name3-[2-(1,2-dihydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-N,N-dimethylpropane-1-sulfonamide
SMILESCN(C)S(=O)(=O)CCCN1CCn2nc(C(O)CO)cc2C1
InChIInChI=1S/C13H24N4O4S/c1-15(2)22(20,21)7-3-4-16-5-6-17-11(9-16)8-12(14-17)13(19)10-18/h8,13,18-19H,3-7,9-10H2,1-2H3
InChIKeyVKTBGZVUSBHDAE-UHFFFAOYSA-N
XLogP-0.99
TPSA98.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(1,2-dihydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-N,N-dimethylpropane-1-sulfonamide?
The IUPAC name of 3-[2-(1,2-dihydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-N,N-dimethylpropane-1-sulfonamide (CID 91779057) is 3-[2-(1,2-dihydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-N,N-dimethylpropane-1-sulfonamide.
What is the SMILES notation for 3-[2-(1,2-dihydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-N,N-dimethylpropane-1-sulfonamide?
The canonical SMILES for 3-[2-(1,2-dihydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-N,N-dimethylpropane-1-sulfonamide is CN(C)S(=O)(=O)CCCN1CCn2nc(C(O)CO)cc2C1.
What is the InChIKey of 3-[2-(1,2-dihydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-N,N-dimethylpropane-1-sulfonamide?
The InChIKey is VKTBGZVUSBHDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O4S/c1-15(2)22(20,21)7-3-4-16-5-6-17-11(9-16)8-12(14-17)13(19)10-18/h8,13,18-19H,3-7,9-10H2,1-2H3.
What are the key properties of 3-[2-(1,2-dihydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-N,N-dimethylpropane-1-sulfonamide?
3-[2-(1,2-dihydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-N,N-dimethylpropane-1-sulfonamide has a molecular weight of 332.43 g/mol, XLogP of -0.99, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1,2-dihydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-N,N-dimethylpropane-1-sulfonamide is sourced from PubChem (CID 91779057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).