3-(4-bromo-3-methylpyrazol-1-yl)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]propanamide

C17H23BrN6O3 — CID 17022862

About 3-(4-bromo-3-methylpyrazol-1-yl)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]propanamide

3-(4-bromo-3-methylpyrazol-1-yl)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]propanamide (PubChem CID 17022862) has the molecular formula C17H23BrN6O3 and a molecular weight of 439.31 g/mol. Its IUPAC name is 3-(4-bromo-3-methylpyrazol-1-yl)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]propanamide.

Molecular Properties

• Compound Name: 3-(4-bromo-3-methylpyrazol-1-yl)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]propanamide
• PubChem CID: 17022862
• Molecular Formula: C17H23BrN6O3
• Molecular Weight: 439.31 g/mol
• Exact Mass: 438.10
• IUPAC Name: 3-(4-bromo-3-methylpyrazol-1-yl)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]propanamide
• SMILES: CCn1ncc(NC(=O)CCn2cc(Br)c(C)n2)c1C(=O)N1CCOCC1
• InChI: InChI=1S/C17H23BrN6O3/c1-3-24-16(17(26)22-6-8-27-9-7-22)14(10-19-24)20-15(25)4-5-23-11-13(18)12(2)21-23/h10-11H,3-9H2,1-2H3,(H,20,25)
• InChIKey: GBPFXKMYNIZUIX-UHFFFAOYSA-N
• XLogP: 1.67
• TPSA: 94.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.31
LogP ≤ 5	1.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-3-methylpyrazol-1-yl)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]propanamide?

The IUPAC name of 3-(4-bromo-3-methylpyrazol-1-yl)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]propanamide (CID 17022862) is 3-(4-bromo-3-methylpyrazol-1-yl)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]propanamide.

What is the SMILES notation for 3-(4-bromo-3-methylpyrazol-1-yl)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]propanamide?

The canonical SMILES for 3-(4-bromo-3-methylpyrazol-1-yl)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]propanamide is CCn1ncc(NC(=O)CCn2cc(Br)c(C)n2)c1C(=O)N1CCOCC1.

What is the InChIKey of 3-(4-bromo-3-methylpyrazol-1-yl)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]propanamide?

The InChIKey is GBPFXKMYNIZUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN6O3/c1-3-24-16(17(26)22-6-8-27-9-7-22)14(10-19-24)20-15(25)4-5-23-11-13(18)12(2)21-23/h10-11H,3-9H2,1-2H3,(H,20,25).

What are the key properties of 3-(4-bromo-3-methylpyrazol-1-yl)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]propanamide?

3-(4-bromo-3-methylpyrazol-1-yl)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]propanamide has a molecular weight of 439.31 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-bromo-3-methylpyrazol-1-yl)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]propanamide is sourced from PubChem (CID 17022862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).