7-ethylsulfonyl-2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine

C12H17N5O2S — CID 97382092

IUPAC7-ethylsulfonyl-2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESCCS(=O)(=O)N1CCn2cc(Cn3cccn3)nc2C1
InChIInChI=1S/C12H17N5O2S/c1-2-20(18,19)17-7-6-15-8-11(14-12(15)10-17)9-16-5-3-4-13-16/h3-5,8H,2,6-7,9-10H2,1H3
InChIKeyOZDJXQZVFOHALI-UHFFFAOYSA-N
MW295.37 g/mol
LogP0.29
Rot. Bonds4

About 7-ethylsulfonyl-2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine

7-ethylsulfonyl-2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (PubChem CID 97382092) has the molecular formula C12H17N5O2S and a molecular weight of 295.37 g/mol. Its IUPAC name is 7-ethylsulfonyl-2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name7-ethylsulfonyl-2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
PubChem CID97382092
Molecular FormulaC12H17N5O2S
Molecular Weight295.37 g/mol
Exact Mass295.11
IUPAC Name7-ethylsulfonyl-2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESCCS(=O)(=O)N1CCn2cc(Cn3cccn3)nc2C1
InChIInChI=1S/C12H17N5O2S/c1-2-20(18,19)17-7-6-15-8-11(14-12(15)10-17)9-16-5-3-4-13-16/h3-5,8H,2,6-7,9-10H2,1H3
InChIKeyOZDJXQZVFOHALI-UHFFFAOYSA-N
XLogP0.29
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-ethylsulfonyl-2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The IUPAC name of 7-ethylsulfonyl-2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (CID 97382092) is 7-ethylsulfonyl-2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.
What is the SMILES notation for 7-ethylsulfonyl-2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The canonical SMILES for 7-ethylsulfonyl-2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is CCS(=O)(=O)N1CCn2cc(Cn3cccn3)nc2C1.
What is the InChIKey of 7-ethylsulfonyl-2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The InChIKey is OZDJXQZVFOHALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2S/c1-2-20(18,19)17-7-6-15-8-11(14-12(15)10-17)9-16-5-3-4-13-16/h3-5,8H,2,6-7,9-10H2,1H3.
What are the key properties of 7-ethylsulfonyl-2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
7-ethylsulfonyl-2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine has a molecular weight of 295.37 g/mol, XLogP of 0.29, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethylsulfonyl-2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is sourced from PubChem (CID 97382092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).