5-(1,2-dimethylimidazol-4-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine

C11H15N5O2S — CID 121170841

IUPAC5-(1,2-dimethylimidazol-4-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
SMILESCc1nc(S(=O)(=O)N2CCn3nccc3C2)cn1C
InChIInChI=1S/C11H15N5O2S/c1-9-13-11(8-14(9)2)19(17,18)15-5-6-16-10(7-15)3-4-12-16/h3-4,8H,5-7H2,1-2H3
InChIKeyRSUBSFHSJDEQPX-UHFFFAOYSA-N
MW281.34 g/mol
LogP0.13
Rot. Bonds2

About 5-(1,2-dimethylimidazol-4-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine

5-(1,2-dimethylimidazol-4-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine (PubChem CID 121170841) has the molecular formula C11H15N5O2S and a molecular weight of 281.34 g/mol. Its IUPAC name is 5-(1,2-dimethylimidazol-4-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name5-(1,2-dimethylimidazol-4-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
PubChem CID121170841
Molecular FormulaC11H15N5O2S
Molecular Weight281.34 g/mol
Exact Mass281.09
IUPAC Name5-(1,2-dimethylimidazol-4-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
SMILESCc1nc(S(=O)(=O)N2CCn3nccc3C2)cn1C
InChIInChI=1S/C11H15N5O2S/c1-9-13-11(8-14(9)2)19(17,18)15-5-6-16-10(7-15)3-4-12-16/h3-4,8H,5-7H2,1-2H3
InChIKeyRSUBSFHSJDEQPX-UHFFFAOYSA-N
XLogP0.13
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(1,2-dimethylimidazol-4-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The IUPAC name of 5-(1,2-dimethylimidazol-4-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine (CID 121170841) is 5-(1,2-dimethylimidazol-4-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 5-(1,2-dimethylimidazol-4-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 5-(1,2-dimethylimidazol-4-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine is Cc1nc(S(=O)(=O)N2CCn3nccc3C2)cn1C.
What is the InChIKey of 5-(1,2-dimethylimidazol-4-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The InChIKey is RSUBSFHSJDEQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2S/c1-9-13-11(8-14(9)2)19(17,18)15-5-6-16-10(7-15)3-4-12-16/h3-4,8H,5-7H2,1-2H3.
What are the key properties of 5-(1,2-dimethylimidazol-4-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
5-(1,2-dimethylimidazol-4-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine has a molecular weight of 281.34 g/mol, XLogP of 0.13, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2-dimethylimidazol-4-yl)sulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 121170841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).