5-(2-ethylsulfonylethyl)-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine

C17H29N3O4S — CID 133142240

IUPAC5-(2-ethylsulfonylethyl)-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
SMILESCCS(=O)(=O)CCN1Cc2ccnn2C(COCC2CCOCC2)C1
InChIInChI=1S/C17H29N3O4S/c1-2-25(21,22)10-7-19-11-16-3-6-18-20(16)17(12-19)14-24-13-15-4-8-23-9-5-15/h3,6,15,17H,2,4-5,7-14H2,1H3
InChIKeyJVXJWRCIBOBJBA-UHFFFAOYSA-N
MW371.50 g/mol
LogP1.12
Rot. Bonds8

About 5-(2-ethylsulfonylethyl)-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine

5-(2-ethylsulfonylethyl)-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine (PubChem CID 133142240) has the molecular formula C17H29N3O4S and a molecular weight of 371.50 g/mol. Its IUPAC name is 5-(2-ethylsulfonylethyl)-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name5-(2-ethylsulfonylethyl)-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
PubChem CID133142240
Molecular FormulaC17H29N3O4S
Molecular Weight371.50 g/mol
Exact Mass371.19
IUPAC Name5-(2-ethylsulfonylethyl)-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
SMILESCCS(=O)(=O)CCN1Cc2ccnn2C(COCC2CCOCC2)C1
InChIInChI=1S/C17H29N3O4S/c1-2-25(21,22)10-7-19-11-16-3-6-18-20(16)17(12-19)14-24-13-15-4-8-23-9-5-15/h3,6,15,17H,2,4-5,7-14H2,1H3
InChIKeyJVXJWRCIBOBJBA-UHFFFAOYSA-N
XLogP1.12
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.50
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(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
2-[7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-1-pyrrolidin-1-ylethanone;2,2,2-trifluoroacetic acid
CID 155844178
N-[2-[5-(2-ethylsulfonylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]ethanesulfonamide
CID 133137431
(7R)-5-(oxan-4-ylmethyl)-7-(pyridin-2-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 124911085
N-(cyclopropylmethyl)-5-(2-ethylsulfonylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
CID 133142921
(7S)-N,N-dimethyl-7-[2-(oxan-4-ylmethoxy)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-sulfonamide
CID 124805248
[(7R)-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-thiophen-3-ylmethanone
CID 124793376
1-(azetidin-1-yl)-2-[5-(2-ethylsulfonylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethanone;2,2,2-trifluoroacetic acid
CID 155864066
5-(furan-2-ylmethyl)-7-[2-(oxan-4-ylmethoxy)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 131671998
1-(azetidin-1-yl)-2-[(7S)-5-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethanone
CID 124791182
(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

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethylsulfonylethyl)-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The IUPAC name of 5-(2-ethylsulfonylethyl)-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine (CID 133142240) is 5-(2-ethylsulfonylethyl)-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 5-(2-ethylsulfonylethyl)-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 5-(2-ethylsulfonylethyl)-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine is CCS(=O)(=O)CCN1Cc2ccnn2C(COCC2CCOCC2)C1.
What is the InChIKey of 5-(2-ethylsulfonylethyl)-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The InChIKey is JVXJWRCIBOBJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O4S/c1-2-25(21,22)10-7-19-11-16-3-6-18-20(16)17(12-19)14-24-13-15-4-8-23-9-5-15/h3,6,15,17H,2,4-5,7-14H2,1H3.
What are the key properties of 5-(2-ethylsulfonylethyl)-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
5-(2-ethylsulfonylethyl)-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine has a molecular weight of 371.50 g/mol, XLogP of 1.12, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylsulfonylethyl)-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 133142240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).