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

C11H15N5O2S — CID 97382091

IUPAC7-methylsulfonyl-2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESCS(=O)(=O)N1CCn2cc(Cn3cccn3)nc2C1
InChIInChI=1S/C11H15N5O2S/c1-19(17,18)16-6-5-14-7-10(13-11(14)9-16)8-15-4-2-3-12-15/h2-4,7H,5-6,8-9H2,1H3
InChIKeyMMJXHYRHZOQMFG-UHFFFAOYSA-N
MW281.34 g/mol
LogP-0.10
Rot. Bonds3

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

7-methylsulfonyl-2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (PubChem CID 97382091) has the molecular formula C11H15N5O2S and a molecular weight of 281.34 g/mol. Its IUPAC name is 7-methylsulfonyl-2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name7-methylsulfonyl-2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
PubChem CID97382091
Molecular FormulaC11H15N5O2S
Molecular Weight281.34 g/mol
Exact Mass281.09
IUPAC Name7-methylsulfonyl-2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESCS(=O)(=O)N1CCn2cc(Cn3cccn3)nc2C1
InChIInChI=1S/C11H15N5O2S/c1-19(17,18)16-6-5-14-7-10(13-11(14)9-16)8-15-4-2-3-12-15/h2-4,7H,5-6,8-9H2,1H3
InChIKeyMMJXHYRHZOQMFG-UHFFFAOYSA-N
XLogP-0.10
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 5-0.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-methylsulfonyl-2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The IUPAC name of 7-methylsulfonyl-2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (CID 97382091) is 7-methylsulfonyl-2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.
What is the SMILES notation for 7-methylsulfonyl-2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The canonical SMILES for 7-methylsulfonyl-2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is CS(=O)(=O)N1CCn2cc(Cn3cccn3)nc2C1.
What is the InChIKey of 7-methylsulfonyl-2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The InChIKey is MMJXHYRHZOQMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2S/c1-19(17,18)16-6-5-14-7-10(13-11(14)9-16)8-15-4-2-3-12-15/h2-4,7H,5-6,8-9H2,1H3.
What are the key properties of 7-methylsulfonyl-2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
7-methylsulfonyl-2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine has a molecular weight of 281.34 g/mol, XLogP of -0.10, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylsulfonyl-2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is sourced from PubChem (CID 97382091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).