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

C20H26N6O2 — CID 91909795

IUPAC5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-3-yl)methyl]-1,2-oxazole-3-carboxamide
SMILESCCn1nc(C)c(-c2cc(C(=O)NCC3Cn4cccc4CN3C)no2)c1C
InChIInChI=1S/C20H26N6O2/c1-5-26-14(3)19(13(2)22-26)18-9-17(23-28-18)20(27)21-10-16-12-25-8-6-7-15(25)11-24(16)4/h6-9,16H,5,10-12H2,1-4H3,(H,21,27)
InChIKeyIKEPSSZZMSXJKU-UHFFFAOYSA-N
MW382.47 g/mol
LogP2.22
Rot. Bonds5

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

5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-3-yl)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 91909795) has the molecular formula C20H26N6O2 and a molecular weight of 382.47 g/mol. Its IUPAC name is 5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(2-methyl-3,4-dihydro-1H-pyrrolo[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-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-3-yl)methyl]-1,2-oxazole-3-carboxamide
PubChem CID91909795
Molecular FormulaC20H26N6O2
Molecular Weight382.47 g/mol
Exact Mass382.21
IUPAC Name5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-3-yl)methyl]-1,2-oxazole-3-carboxamide
SMILESCCn1nc(C)c(-c2cc(C(=O)NCC3Cn4cccc4CN3C)no2)c1C
InChIInChI=1S/C20H26N6O2/c1-5-26-14(3)19(13(2)22-26)18-9-17(23-28-18)20(27)21-10-16-12-25-8-6-7-15(25)11-24(16)4/h6-9,16H,5,10-12H2,1-4H3,(H,21,27)
InChIKeyIKEPSSZZMSXJKU-UHFFFAOYSA-N
XLogP2.22
TPSA81.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 52.22
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-3,4-dihydro-1H-pyrrolo[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-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-3-yl)methyl]-1,2-oxazole-3-carboxamide (CID 91909795) is 5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(2-methyl-3,4-dihydro-1H-pyrrolo[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-3,4-dihydro-1H-pyrrolo[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-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-3-yl)methyl]-1,2-oxazole-3-carboxamide is CCn1nc(C)c(-c2cc(C(=O)NCC3Cn4cccc4CN3C)no2)c1C.
What is the InChIKey of 5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-3-yl)methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is IKEPSSZZMSXJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O2/c1-5-26-14(3)19(13(2)22-26)18-9-17(23-28-18)20(27)21-10-16-12-25-8-6-7-15(25)11-24(16)4/h6-9,16H,5,10-12H2,1-4H3,(H,21,27).
What are the key properties of 5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-3-yl)methyl]-1,2-oxazole-3-carboxamide?
5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[(2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-3-yl)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 382.47 g/mol, XLogP of 2.22, 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-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-3-yl)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 91909795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).