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

C14H19N5O3S — CID 91909641

IUPAC1-ethyl-N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCC2Cn3cccc3C(=O)N2C)cn1
InChIInChI=1S/C14H19N5O3S/c1-3-19-10-12(8-15-19)23(21,22)16-7-11-9-18-6-4-5-13(18)14(20)17(11)2/h4-6,8,10-11,16H,3,7,9H2,1-2H3
InChIKeyMLZQHBUGVQEPFD-UHFFFAOYSA-N
MW337.41 g/mol
LogP0.14
Rot. Bonds5

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

1-ethyl-N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]pyrazole-4-sulfonamide (PubChem CID 91909641) has the molecular formula C14H19N5O3S and a molecular weight of 337.41 g/mol. Its IUPAC name is 1-ethyl-N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]pyrazole-4-sulfonamide
PubChem CID91909641
Molecular FormulaC14H19N5O3S
Molecular Weight337.41 g/mol
Exact Mass337.12
IUPAC Name1-ethyl-N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCC2Cn3cccc3C(=O)N2C)cn1
InChIInChI=1S/C14H19N5O3S/c1-3-19-10-12(8-15-19)23(21,22)16-7-11-9-18-6-4-5-13(18)14(20)17(11)2/h4-6,8,10-11,16H,3,7,9H2,1-2H3
InChIKeyMLZQHBUGVQEPFD-UHFFFAOYSA-N
XLogP0.14
TPSA89.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-hydroxy-5-(1-methylpyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
CID 58465584
ethyl 4-({[1-methyl-4-(pyrrolidin-1-ylsulfonyl)-1H-pyrrol-2-yl]carbonyl}amino)piperidine-1-carboxylate
CID 3244091
N-(3-pyrazol-1-ylphenyl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 47062932
US11414402, Example 24
CID 137352960
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
4-Fluoro-N-({2-methyl-1-oxo-1H,2H,3H,4H-pyrrolo[1,2-A]pyrazin-3-YL}methyl)benzene-1-sulfonamide
CID 91909632
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
1-Methyl-N-({2-methyl-1H,2H,3H,4H-pyrrolo[1,2-A]pyrazin-3-YL}methyl)-1H-pyrrole-2-carboxamide
CID 110197160
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

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]pyrazole-4-sulfonamide (CID 91909641) is 1-ethyl-N-[(2-methyl-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-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]pyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)NCC2Cn3cccc3C(=O)N2C)cn1.
What is the InChIKey of 1-ethyl-N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]pyrazole-4-sulfonamide?
The InChIKey is MLZQHBUGVQEPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O3S/c1-3-19-10-12(8-15-19)23(21,22)16-7-11-9-18-6-4-5-13(18)14(20)17(11)2/h4-6,8,10-11,16H,3,7,9H2,1-2H3.
What are the key properties of 1-ethyl-N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]pyrazole-4-sulfonamide?
1-ethyl-N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]pyrazole-4-sulfonamide has a molecular weight of 337.41 g/mol, XLogP of 0.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 91909641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).