8-methyl-7-methylsulfonyl-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine

C12H17N5O2S — CID 118744607

IUPAC8-methyl-7-methylsulfonyl-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESCC1c2ncc(Cn3cccn3)n2CCN1S(C)(=O)=O
InChIInChI=1S/C12H17N5O2S/c1-10-12-13-8-11(9-15-5-3-4-14-15)16(12)6-7-17(10)20(2,18)19/h3-5,8,10H,6-7,9H2,1-2H3
InChIKeyZKJLKZHUJCFBRS-UHFFFAOYSA-N
MW295.37 g/mol
LogP0.46
Rot. Bonds3

About 8-methyl-7-methylsulfonyl-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine

8-methyl-7-methylsulfonyl-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (PubChem CID 118744607) has the molecular formula C12H17N5O2S and a molecular weight of 295.37 g/mol. Its IUPAC name is 8-methyl-7-methylsulfonyl-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name8-methyl-7-methylsulfonyl-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
PubChem CID118744607
Molecular FormulaC12H17N5O2S
Molecular Weight295.37 g/mol
Exact Mass295.11
IUPAC Name8-methyl-7-methylsulfonyl-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESCC1c2ncc(Cn3cccn3)n2CCN1S(C)(=O)=O
InChIInChI=1S/C12H17N5O2S/c1-10-12-13-8-11(9-15-5-3-4-14-15)16(12)6-7-17(10)20(2,18)19/h3-5,8,10H,6-7,9H2,1-2H3
InChIKeyZKJLKZHUJCFBRS-UHFFFAOYSA-N
XLogP0.46
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-7-methylsulfonyl-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The IUPAC name of 8-methyl-7-methylsulfonyl-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (CID 118744607) is 8-methyl-7-methylsulfonyl-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.
What is the SMILES notation for 8-methyl-7-methylsulfonyl-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The canonical SMILES for 8-methyl-7-methylsulfonyl-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is CC1c2ncc(Cn3cccn3)n2CCN1S(C)(=O)=O.
What is the InChIKey of 8-methyl-7-methylsulfonyl-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The InChIKey is ZKJLKZHUJCFBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2S/c1-10-12-13-8-11(9-15-5-3-4-14-15)16(12)6-7-17(10)20(2,18)19/h3-5,8,10H,6-7,9H2,1-2H3.
What are the key properties of 8-methyl-7-methylsulfonyl-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
8-methyl-7-methylsulfonyl-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine has a molecular weight of 295.37 g/mol, XLogP of 0.46, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-7-methylsulfonyl-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is sourced from PubChem (CID 118744607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).