(7S)-N,N-dimethyl-7-[2-(oxan-4-ylmethoxy)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-sulfonamide

C16H28N4O4S — CID 124805248

IUPAC(7S)-N,N-dimethyl-7-[2-(oxan-4-ylmethoxy)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-sulfonamide
SMILESCN(C)S(=O)(=O)N1Cc2ccnn2[C@@H](CCOCC2CCOCC2)C1
InChIInChI=1S/C16H28N4O4S/c1-18(2)25(21,22)19-11-15-3-7-17-20(15)16(12-19)6-10-24-13-14-4-8-23-9-5-14/h3,7,14,16H,4-6,8-13H2,1-2H3/t16-/m0/s1
InChIKeyYYPAXDXZPHGGOW-INIZCTEOSA-N
MW372.49 g/mol
LogP0.88
Rot. Bonds7

About (7S)-N,N-dimethyl-7-[2-(oxan-4-ylmethoxy)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-sulfonamide

(7S)-N,N-dimethyl-7-[2-(oxan-4-ylmethoxy)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-sulfonamide (PubChem CID 124805248) has the molecular formula C16H28N4O4S and a molecular weight of 372.49 g/mol. Its IUPAC name is (7S)-N,N-dimethyl-7-[2-(oxan-4-ylmethoxy)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-sulfonamide.

Molecular Properties

Compound Name(7S)-N,N-dimethyl-7-[2-(oxan-4-ylmethoxy)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-sulfonamide
PubChem CID124805248
Molecular FormulaC16H28N4O4S
Molecular Weight372.49 g/mol
Exact Mass372.18
IUPAC Name(7S)-N,N-dimethyl-7-[2-(oxan-4-ylmethoxy)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-sulfonamide
SMILESCN(C)S(=O)(=O)N1Cc2ccnn2[C@@H](CCOCC2CCOCC2)C1
InChIInChI=1S/C16H28N4O4S/c1-18(2)25(21,22)19-11-15-3-7-17-20(15)16(12-19)6-10-24-13-14-4-8-23-9-5-14/h3,7,14,16H,4-6,8-13H2,1-2H3/t16-/m0/s1
InChIKeyYYPAXDXZPHGGOW-INIZCTEOSA-N
XLogP0.88
TPSA76.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-[2-(cyclopropylmethoxy)ethyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-sulfonamide
CID 131663594
(7R)-5-methylsulfonyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 124781899
(7S)-5-methylsulfonyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 124781898
N,N-dimethyl-7-(2-piperidin-1-ylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-sulfonamide
CID 131656757
(1-methylpyrrol-2-yl)-[(7R)-7-[2-(oxan-4-ylmethoxy)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
CID 124815853
(1-methylpyrrol-2-yl)-[(7S)-7-[2-(oxan-4-ylmethoxy)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
CID 124815855
5-(furan-2-ylmethyl)-7-[2-(oxan-4-ylmethoxy)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 131671998
5-(2-ethylsulfonylethyl)-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 133142240
5-(furan-2-ylmethyl)-7-[2-(oxan-4-ylmethoxy)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid
CID 155832223
(7S)-7-[2-(cyclopropylmethoxy)ethyl]-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 124790492
N-[2-[(7R)-5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]ethanesulfonamide
CID 124895374
[(7R)-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-thiophen-3-ylmethanone
CID 124793376

Frequently Asked Questions

What is the IUPAC name of (7S)-N,N-dimethyl-7-[2-(oxan-4-ylmethoxy)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-sulfonamide?
The IUPAC name of (7S)-N,N-dimethyl-7-[2-(oxan-4-ylmethoxy)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-sulfonamide (CID 124805248) is (7S)-N,N-dimethyl-7-[2-(oxan-4-ylmethoxy)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-sulfonamide.
What is the SMILES notation for (7S)-N,N-dimethyl-7-[2-(oxan-4-ylmethoxy)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-sulfonamide?
The canonical SMILES for (7S)-N,N-dimethyl-7-[2-(oxan-4-ylmethoxy)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-sulfonamide is CN(C)S(=O)(=O)N1Cc2ccnn2[C@@H](CCOCC2CCOCC2)C1.
What is the InChIKey of (7S)-N,N-dimethyl-7-[2-(oxan-4-ylmethoxy)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-sulfonamide?
The InChIKey is YYPAXDXZPHGGOW-INIZCTEOSA-N. The full InChI is InChI=1S/C16H28N4O4S/c1-18(2)25(21,22)19-11-15-3-7-17-20(15)16(12-19)6-10-24-13-14-4-8-23-9-5-14/h3,7,14,16H,4-6,8-13H2,1-2H3/t16-/m0/s1.
What are the key properties of (7S)-N,N-dimethyl-7-[2-(oxan-4-ylmethoxy)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-sulfonamide?
(7S)-N,N-dimethyl-7-[2-(oxan-4-ylmethoxy)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-sulfonamide has a molecular weight of 372.49 g/mol, XLogP of 0.88, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-N,N-dimethyl-7-[2-(oxan-4-ylmethoxy)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-sulfonamide is sourced from PubChem (CID 124805248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).