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

C14H19N5O2S — CID 118740790

IUPAC7-cyclopropylsulfonyl-8-methyl-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESCC1c2ncc(Cn3cccn3)n2CCN1S(=O)(=O)C1CC1
InChIInChI=1S/C14H19N5O2S/c1-11-14-15-9-12(10-17-6-2-5-16-17)18(14)7-8-19(11)22(20,21)13-3-4-13/h2,5-6,9,11,13H,3-4,7-8,10H2,1H3
InChIKeyZXMLWWVHKHZTIP-UHFFFAOYSA-N
MW321.41 g/mol
LogP1.00
Rot. Bonds4

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

7-cyclopropylsulfonyl-8-methyl-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (PubChem CID 118740790) has the molecular formula C14H19N5O2S and a molecular weight of 321.41 g/mol. Its IUPAC name is 7-cyclopropylsulfonyl-8-methyl-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name7-cyclopropylsulfonyl-8-methyl-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
PubChem CID118740790
Molecular FormulaC14H19N5O2S
Molecular Weight321.41 g/mol
Exact Mass321.13
IUPAC Name7-cyclopropylsulfonyl-8-methyl-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESCC1c2ncc(Cn3cccn3)n2CCN1S(=O)(=O)C1CC1
InChIInChI=1S/C14H19N5O2S/c1-11-14-15-9-12(10-17-6-2-5-16-17)18(14)7-8-19(11)22(20,21)13-3-4-13/h2,5-6,9,11,13H,3-4,7-8,10H2,1H3
InChIKeyZXMLWWVHKHZTIP-UHFFFAOYSA-N
XLogP1.00
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(1-cyclopropyl-5-methyl-1H-imidazol-2-yl)ethyl]-1-ethyl-1H-pyrazole-4-sulfonamide
CID 91911666
N,N-dimethyl-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide
CID 97384444
7-Cyclopropylsulfonyl-3-(pyrazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine
CID 97467120
7-cyclopropylsulfonyl-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 97471182
7-cyclopropylsulfonyl-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 97471219
8-Propylsulfonyl-6-(pyrazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine
CID 118739162
8-Ethylsulfonyl-6-(pyrazol-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine
CID 118740748
8-methyl-7-methylsulfonyl-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 118744607
8-methyl-3-(pyrazol-1-ylmethyl)-7-pyrimidin-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 118744624
8-methyl-7-methylsulfonyl-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
CID 118744606
7-methylsulfonyl-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
CID 155839174
7-cyclopropylsulfonyl-2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
CID 171672649

Frequently Asked Questions

What is the IUPAC name of 7-cyclopropylsulfonyl-8-methyl-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The IUPAC name of 7-cyclopropylsulfonyl-8-methyl-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (CID 118740790) is 7-cyclopropylsulfonyl-8-methyl-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.
What is the SMILES notation for 7-cyclopropylsulfonyl-8-methyl-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The canonical SMILES for 7-cyclopropylsulfonyl-8-methyl-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is CC1c2ncc(Cn3cccn3)n2CCN1S(=O)(=O)C1CC1.
What is the InChIKey of 7-cyclopropylsulfonyl-8-methyl-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The InChIKey is ZXMLWWVHKHZTIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2S/c1-11-14-15-9-12(10-17-6-2-5-16-17)18(14)7-8-19(11)22(20,21)13-3-4-13/h2,5-6,9,11,13H,3-4,7-8,10H2,1H3.
What are the key properties of 7-cyclopropylsulfonyl-8-methyl-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
7-cyclopropylsulfonyl-8-methyl-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine has a molecular weight of 321.41 g/mol, XLogP of 1.00, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopropylsulfonyl-8-methyl-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is sourced from PubChem (CID 118740790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).