1-ethyl-N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]pyrazole-4-sulfonamide

C16H23N5O4S — CID 91920392

IUPAC1-ethyl-N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCC2Cn3cccc3C(=O)N2CCOC)cn1
InChIInChI=1S/C16H23N5O4S/c1-3-20-12-14(10-17-20)26(23,24)18-9-13-11-19-6-4-5-15(19)16(22)21(13)7-8-25-2/h4-6,10,12-13,18H,3,7-9,11H2,1-2H3
InChIKeyFDBOMMYVFFTNNU-UHFFFAOYSA-N
MW381.46 g/mol
LogP0.15
Rot. Bonds8

About 1-ethyl-N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]pyrazole-4-sulfonamide

1-ethyl-N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]pyrazole-4-sulfonamide (PubChem CID 91920392) has the molecular formula C16H23N5O4S and a molecular weight of 381.46 g/mol. Its IUPAC name is 1-ethyl-N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]pyrazole-4-sulfonamide
PubChem CID91920392
Molecular FormulaC16H23N5O4S
Molecular Weight381.46 g/mol
Exact Mass381.15
IUPAC Name1-ethyl-N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCC2Cn3cccc3C(=O)N2CCOC)cn1
InChIInChI=1S/C16H23N5O4S/c1-3-20-12-14(10-17-20)26(23,24)18-9-13-11-19-6-4-5-15(19)16(22)21(13)7-8-25-2/h4-6,10,12-13,18H,3,7-9,11H2,1-2H3
InChIKeyFDBOMMYVFFTNNU-UHFFFAOYSA-N
XLogP0.15
TPSA98.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 4-({[1-methyl-4-(pyrrolidin-1-ylsulfonyl)-1H-pyrrol-2-yl]carbonyl}amino)piperidine-1-carboxylate
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N-[2-(dimethylamino)ethyl]-5-(1H-pyrrol-2-ylcarbonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 56760353
N-[1-(2-fluorophenyl)pyrazol-4-yl]sulfonyl-1-methylpyrrole-2-carboxamide
CID 71869330
2-[5-Methyl-3-(trifluoromethyl)-1H-pyrazol-1-YL]-N-{[2-(2-methylpropyl)-1-oxo-1H,2H,3H,4H-pyrrolo[1,2-A]pyrazin-3-YL]methyl}acetamide
CID 91909682
N-{[2-(2-methoxyethyl)-1-oxo-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-3-yl]methyl}-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 91909712
4-fluoro-N-{[2-(2-methoxyethyl)-1-oxo-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-3-yl]methyl}-1-benzenesulfonamide
CID 91920383
2-(4-Methanesulfonyl-2H-pyrazol-3-YL)-1-(1-methylpyrrole-2-carbonyl)piperidine
CID 118740358
1-ethyl-N-[(2-methyl-1-oxo-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-3-yl)methyl]-1H-pyrazole-5-carboxamide
CID 91920317
1,3-Dimethyl-N-({2-methyl-1-oxo-1H,2H,3H,4H-pyrrolo[1,2-A]pyrazin-3-YL}methyl)-1H-pyrazole-5-carboxamide
CID 91920323
1-Methyl-N-({2-methyl-1H,2H,3H,4H-pyrrolo[1,2-A]pyrazin-3-YL}methyl)-1H-pyrazole-5-carboxamide
CID 110197139
1,5-Dimethyl-N~3~-[(2-methyl-1,2,3,4-tetrahydropyrrolo[1,2-A]pyrazin-3-YL)methyl]-1H-pyrazole-3-carboxamide
CID 110197141
N-(2-Aminoethyl)-1-methyl-4-(4-morpholinylsulfonyl)-1H-pyrrole-2-carboxamide
CID 28818964

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]pyrazole-4-sulfonamide (CID 91920392) is 1-ethyl-N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]pyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)NCC2Cn3cccc3C(=O)N2CCOC)cn1.
What is the InChIKey of 1-ethyl-N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]pyrazole-4-sulfonamide?
The InChIKey is FDBOMMYVFFTNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O4S/c1-3-20-12-14(10-17-20)26(23,24)18-9-13-11-19-6-4-5-15(19)16(22)21(13)7-8-25-2/h4-6,10,12-13,18H,3,7-9,11H2,1-2H3.
What are the key properties of 1-ethyl-N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]pyrazole-4-sulfonamide?
1-ethyl-N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]pyrazole-4-sulfonamide has a molecular weight of 381.46 g/mol, XLogP of 0.15, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 91920392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).