5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]-1,2-oxazole-3-carboxamide

C20H24N6O3 — CID 91920320

IUPAC5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]-1,2-oxazole-3-carboxamide
SMILESCCn1nc(C)c(-c2cc(C(=O)NCC3Cn4cccc4C(=O)N3C)no2)c1C
InChIInChI=1S/C20H24N6O3/c1-5-26-13(3)18(12(2)22-26)17-9-15(23-29-17)19(27)21-10-14-11-25-8-6-7-16(25)20(28)24(14)4/h6-9,14H,5,10-11H2,1-4H3,(H,21,27)
InChIKeyGFTDXPVUCFSTAM-UHFFFAOYSA-N
MW396.45 g/mol
LogP1.86
Rot. Bonds5

About 5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]-1,2-oxazole-3-carboxamide

5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 91920320) has the molecular formula C20H24N6O3 and a molecular weight of 396.45 g/mol. Its IUPAC name is 5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]-1,2-oxazole-3-carboxamide
PubChem CID91920320
Molecular FormulaC20H24N6O3
Molecular Weight396.45 g/mol
Exact Mass396.19
IUPAC Name5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]-1,2-oxazole-3-carboxamide
SMILESCCn1nc(C)c(-c2cc(C(=O)NCC3Cn4cccc4C(=O)N3C)no2)c1C
InChIInChI=1S/C20H24N6O3/c1-5-26-13(3)18(12(2)22-26)17-9-15(23-29-17)19(27)21-10-14-11-25-8-6-7-16(25)20(28)24(14)4/h6-9,14H,5,10-11H2,1-4H3,(H,21,27)
InChIKeyGFTDXPVUCFSTAM-UHFFFAOYSA-N
XLogP1.86
TPSA98.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]-1,2-oxazole-3-carboxamide (CID 91920320) is 5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]-1,2-oxazole-3-carboxamide is CCn1nc(C)c(-c2cc(C(=O)NCC3Cn4cccc4C(=O)N3C)no2)c1C.
What is the InChIKey of 5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is GFTDXPVUCFSTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O3/c1-5-26-13(3)18(12(2)22-26)17-9-15(23-29-17)19(27)21-10-14-11-25-8-6-7-16(25)20(28)24(14)4/h6-9,14H,5,10-11H2,1-4H3,(H,21,27).
What are the key properties of 5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]-1,2-oxazole-3-carboxamide?
5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 396.45 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 91920320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).