5-bromo-N-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]furan-2-carboxamide

C15H18BrN5O3 — CID 78714437

IUPAC5-bromo-N-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]furan-2-carboxamide
SMILESCCC1CC(=O)NC(n2nc(C)cc2NC(=O)c2ccc(Br)o2)N1
InChIInChI=1S/C15H18BrN5O3/c1-3-9-7-13(22)19-15(17-9)21-12(6-8(2)20-21)18-14(23)10-4-5-11(16)24-10/h4-6,9,15,17H,3,7H2,1-2H3,(H,18,23)(H,19,22)
InChIKeyCXBVRTFHGBCLAN-UHFFFAOYSA-N
MW396.25 g/mol
LogP2.14
Rot. Bonds4

About 5-bromo-N-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]furan-2-carboxamide

5-bromo-N-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]furan-2-carboxamide (PubChem CID 78714437) has the molecular formula C15H18BrN5O3 and a molecular weight of 396.25 g/mol. Its IUPAC name is 5-bromo-N-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]furan-2-carboxamide
PubChem CID78714437
Molecular FormulaC15H18BrN5O3
Molecular Weight396.25 g/mol
Exact Mass395.06
IUPAC Name5-bromo-N-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]furan-2-carboxamide
SMILESCCC1CC(=O)NC(n2nc(C)cc2NC(=O)c2ccc(Br)o2)N1
InChIInChI=1S/C15H18BrN5O3/c1-3-9-7-13(22)19-15(17-9)21-12(6-8(2)20-21)18-14(23)10-4-5-11(16)24-10/h4-6,9,15,17H,3,7H2,1-2H3,(H,18,23)(H,19,22)
InChIKeyCXBVRTFHGBCLAN-UHFFFAOYSA-N
XLogP2.14
TPSA101.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.25
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2,5-dichloro-N-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]benzamide
CID 78714284
N'-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]-N-[(4-fluorophenyl)methyl]oxamide
CID 73339871
1-(3,4-dichlorophenyl)-3-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]urea
CID 74924627
1-(2-ethoxyphenyl)-3-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]urea
CID 74924632
N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]-4-(trifluoromethyl)benzamide
CID 78714002
2-(2-methyl-1H-indol-3-yl)-N-[5-methyl-2-(4-oxo-6-propyl-1,3-diazinan-2-yl)pyrazol-3-yl]-2-oxoacetamide
CID 78714822
(E)-N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]but-2-enamide
CID 156591279
5-chloro-2-methoxy-N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]benzamide
CID 78713976
2-chloro-6-fluoro-N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]benzamide
CID 78713973
N-[2-(4-methoxyphenyl)ethyl]-N'-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]oxamide
CID 73339846
N-[2-(1H-indol-3-yl)ethyl]-N'-[5-methyl-2-(4-oxo-6-propyl-1,3-diazinan-2-yl)pyrazol-3-yl]oxamide
CID 73339912
5-bromo-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)furan-2-carboxamide
CID 841537

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]furan-2-carboxamide (CID 78714437) is 5-bromo-N-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]furan-2-carboxamide is CCC1CC(=O)NC(n2nc(C)cc2NC(=O)c2ccc(Br)o2)N1.
What is the InChIKey of 5-bromo-N-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]furan-2-carboxamide?
The InChIKey is CXBVRTFHGBCLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN5O3/c1-3-9-7-13(22)19-15(17-9)21-12(6-8(2)20-21)18-14(23)10-4-5-11(16)24-10/h4-6,9,15,17H,3,7H2,1-2H3,(H,18,23)(H,19,22).
What are the key properties of 5-bromo-N-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]furan-2-carboxamide?
5-bromo-N-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]furan-2-carboxamide has a molecular weight of 396.25 g/mol, XLogP of 2.14, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]furan-2-carboxamide is sourced from PubChem (CID 78714437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).