5-ethylsulfonyl-7-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine

C14H24N4O2S — CID 131678549

IUPAC5-ethylsulfonyl-7-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
SMILESCCS(=O)(=O)N1Cc2ccnn2C(CCN2CCCC2)C1
InChIInChI=1S/C14H24N4O2S/c1-2-21(19,20)17-11-13-5-7-15-18(13)14(12-17)6-10-16-8-3-4-9-16/h5,7,14H,2-4,6,8-12H2,1H3
InChIKeyPBRCKFDEEQCLID-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.08
Rot. Bonds5

About 5-ethylsulfonyl-7-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine

5-ethylsulfonyl-7-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine (PubChem CID 131678549) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is 5-ethylsulfonyl-7-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name5-ethylsulfonyl-7-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
PubChem CID131678549
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC Name5-ethylsulfonyl-7-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
SMILESCCS(=O)(=O)N1Cc2ccnn2C(CCN2CCCC2)C1
InChIInChI=1S/C14H24N4O2S/c1-2-21(19,20)17-11-13-5-7-15-18(13)14(12-17)6-10-16-8-3-4-9-16/h5,7,14H,2-4,6,8-12H2,1H3
InChIKeyPBRCKFDEEQCLID-UHFFFAOYSA-N
XLogP1.08
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-(2-piperidin-1-ylethyl)-5-propylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 133136599
N,N-dimethyl-7-(2-piperidin-1-ylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-sulfonamide
CID 131656757
3-methyl-1-[7-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]butan-1-one
CID 131678513
5-(3-methylphenyl)sulfonyl-7-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid
CID 155866458
1-[2-[(7S)-5-(benzenesulfonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]pyrrolidin-2-one
CID 124792291
N-[2-(5-ethylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 131678503
2-cyclopentyloxy-1-[(7S)-7-(2-piperidin-1-ylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone
CID 124785757
5-(oxan-4-yl)-7-(2-piperidin-1-ylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;bis(2,2,2-trifluoroacetic acid)
CID 155830284
1-methyl-N-[2-[(7S)-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]pyrrole-2-carboxamide
CID 124820223
N-[2-[5-(2-ethylsulfonylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]ethanesulfonamide
CID 133137431
7-[2-(cyclopropylmethoxy)ethyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-sulfonamide
CID 131663594
1-(azetidin-1-yl)-2-[5-(trifluoromethylsulfonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethanone
CID 131694175

Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfonyl-7-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The IUPAC name of 5-ethylsulfonyl-7-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine (CID 131678549) is 5-ethylsulfonyl-7-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 5-ethylsulfonyl-7-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 5-ethylsulfonyl-7-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine is CCS(=O)(=O)N1Cc2ccnn2C(CCN2CCCC2)C1.
What is the InChIKey of 5-ethylsulfonyl-7-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The InChIKey is PBRCKFDEEQCLID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-2-21(19,20)17-11-13-5-7-15-18(13)14(12-17)6-10-16-8-3-4-9-16/h5,7,14H,2-4,6,8-12H2,1H3.
What are the key properties of 5-ethylsulfonyl-7-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
5-ethylsulfonyl-7-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine has a molecular weight of 312.44 g/mol, XLogP of 1.08, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfonyl-7-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 131678549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).