N-(5-ethyl-1H-pyrazol-3-yl)-7-(3-ethylsulfonylphenyl)-2-methyl-4,8-dihydroimidazo[1,2-a]pyrazin-4-ium-5-amine

C20H25N6O2S+ — CID 173087306

IUPACN-(5-ethyl-1H-pyrazol-3-yl)-7-(3-ethylsulfonylphenyl)-2-methyl-4,8-dihydroimidazo[1,2-a]pyrazin-4-ium-5-amine
SMILESCCc1cc(NC2=CN(c3cccc(S(=O)(=O)CC)c3)CC3=NC(C)=C[NH+]23)n[nH]1
InChIInChI=1S/C20H24N6O2S/c1-4-15-9-18(24-23-15)22-20-13-25(12-19-21-14(3)11-26(19)20)16-7-6-8-17(10-16)29(27,28)5-2/h6-11,13H,4-5,12H2,1-3H3,(H2,22,23,24)/p+1
InChIKeyAPZQFJZLEZADCO-UHFFFAOYSA-O
MW413.53 g/mol
LogP1.65
Rot. Bonds6

About N-(5-ethyl-1H-pyrazol-3-yl)-7-(3-ethylsulfonylphenyl)-2-methyl-4,8-dihydroimidazo[1,2-a]pyrazin-4-ium-5-amine

N-(5-ethyl-1H-pyrazol-3-yl)-7-(3-ethylsulfonylphenyl)-2-methyl-4,8-dihydroimidazo[1,2-a]pyrazin-4-ium-5-amine (PubChem CID 173087306) has the molecular formula C20H25N6O2S+ and a molecular weight of 413.53 g/mol. Its IUPAC name is N-(5-ethyl-1H-pyrazol-3-yl)-7-(3-ethylsulfonylphenyl)-2-methyl-4,8-dihydroimidazo[1,2-a]pyrazin-4-ium-5-amine.

Molecular Properties

Compound NameN-(5-ethyl-1H-pyrazol-3-yl)-7-(3-ethylsulfonylphenyl)-2-methyl-4,8-dihydroimidazo[1,2-a]pyrazin-4-ium-5-amine
PubChem CID173087306
Molecular FormulaC20H25N6O2S+
Molecular Weight413.53 g/mol
Exact Mass413.18
IUPAC NameN-(5-ethyl-1H-pyrazol-3-yl)-7-(3-ethylsulfonylphenyl)-2-methyl-4,8-dihydroimidazo[1,2-a]pyrazin-4-ium-5-amine
SMILESCCc1cc(NC2=CN(c3cccc(S(=O)(=O)CC)c3)CC3=NC(C)=C[NH+]23)n[nH]1
InChIInChI=1S/C20H24N6O2S/c1-4-15-9-18(24-23-15)22-20-13-25(12-19-21-14(3)11-26(19)20)16-7-6-8-17(10-16)29(27,28)5-2/h6-11,13H,4-5,12H2,1-3H3,(H2,22,23,24)/p+1
InChIKeyAPZQFJZLEZADCO-UHFFFAOYSA-O
XLogP1.65
TPSA94.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.53
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-methyl-1H-pyrazol-3-yl)-7-phenyl-2-(trifluoromethyl)-4,8-dihydroimidazo[1,2-a]pyrazin-4-ium-5-amine
CID 173087049
N-(5-ethyl-1H-pyrazol-3-yl)-7-(3-ethylsulfonylphenyl)-2-methylimidazo[1,2-c]pyrimidin-5-amine
CID 59299176
N-cyclopropyl-3-[5-[(5-methyl-1H-pyrazol-3-yl)amino]-4,8-dihydroimidazo[1,2-a]pyrazin-4-ium-7-yl]benzamide
CID 173086620
[7-(3-ethylsulfonylphenyl)-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-2-yl]methanol
CID 59299184
3-(chloromethyl)-N-(5-ethyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 114279782
N-(5-ethyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 115701458
N-(5-ethyl-1H-pyrazol-3-yl)methanesulfonamide
CID 104620650
4-bromo-N-(5-ethyl-1H-pyrazol-3-yl)-3-methylbenzenesulfonamide
CID 112699826
2-[(5-ethyl-1H-pyrazol-3-yl)amino]benzoic acid
CID 56994792
N-(5-cyclopropyl-1H-pyrazol-3-yl)-7-[4-(dimethylamino)phenyl]-4,8-dihydroimidazo[1,2-a]pyrazin-4-ium-5-amine
CID 173087312
N-(5-ethyl-1H-pyrazol-3-yl)-2-methoxy-5-methylbenzenesulfonamide
CID 104620618
N-(5-ethyl-1H-pyrazol-3-yl)-2-oxo-1H-pyridine-3-carboxamide
CID 47423364

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1H-pyrazol-3-yl)-7-(3-ethylsulfonylphenyl)-2-methyl-4,8-dihydroimidazo[1,2-a]pyrazin-4-ium-5-amine?
The IUPAC name of N-(5-ethyl-1H-pyrazol-3-yl)-7-(3-ethylsulfonylphenyl)-2-methyl-4,8-dihydroimidazo[1,2-a]pyrazin-4-ium-5-amine (CID 173087306) is N-(5-ethyl-1H-pyrazol-3-yl)-7-(3-ethylsulfonylphenyl)-2-methyl-4,8-dihydroimidazo[1,2-a]pyrazin-4-ium-5-amine.
What is the SMILES notation for N-(5-ethyl-1H-pyrazol-3-yl)-7-(3-ethylsulfonylphenyl)-2-methyl-4,8-dihydroimidazo[1,2-a]pyrazin-4-ium-5-amine?
The canonical SMILES for N-(5-ethyl-1H-pyrazol-3-yl)-7-(3-ethylsulfonylphenyl)-2-methyl-4,8-dihydroimidazo[1,2-a]pyrazin-4-ium-5-amine is CCc1cc(NC2=CN(c3cccc(S(=O)(=O)CC)c3)CC3=NC(C)=C[NH+]23)n[nH]1.
What is the InChIKey of N-(5-ethyl-1H-pyrazol-3-yl)-7-(3-ethylsulfonylphenyl)-2-methyl-4,8-dihydroimidazo[1,2-a]pyrazin-4-ium-5-amine?
The InChIKey is APZQFJZLEZADCO-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H24N6O2S/c1-4-15-9-18(24-23-15)22-20-13-25(12-19-21-14(3)11-26(19)20)16-7-6-8-17(10-16)29(27,28)5-2/h6-11,13H,4-5,12H2,1-3H3,(H2,22,23,24)/p+1.
What are the key properties of N-(5-ethyl-1H-pyrazol-3-yl)-7-(3-ethylsulfonylphenyl)-2-methyl-4,8-dihydroimidazo[1,2-a]pyrazin-4-ium-5-amine?
N-(5-ethyl-1H-pyrazol-3-yl)-7-(3-ethylsulfonylphenyl)-2-methyl-4,8-dihydroimidazo[1,2-a]pyrazin-4-ium-5-amine has a molecular weight of 413.53 g/mol, XLogP of 1.65, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1H-pyrazol-3-yl)-7-(3-ethylsulfonylphenyl)-2-methyl-4,8-dihydroimidazo[1,2-a]pyrazin-4-ium-5-amine is sourced from PubChem (CID 173087306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).