4-[3-(4-bromopyrazol-1-yl)propanoylamino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide

C17H19BrN6O3 — CID 19561846

About 4-[3-(4-bromopyrazol-1-yl)propanoylamino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide

4-[3-(4-bromopyrazol-1-yl)propanoylamino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide (PubChem CID 19561846) has the molecular formula C17H19BrN6O3 and a molecular weight of 435.28 g/mol. Its IUPAC name is 4-[3-(4-bromopyrazol-1-yl)propanoylamino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 4-[3-(4-bromopyrazol-1-yl)propanoylamino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide
• PubChem CID: 19561846
• Molecular Formula: C17H19BrN6O3
• Molecular Weight: 435.28 g/mol
• Exact Mass: 434.07
• IUPAC Name: 4-[3-(4-bromopyrazol-1-yl)propanoylamino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide
• SMILES: CCn1cc(NC(=O)CCn2cc(Br)cn2)c(C(=O)NCc2ccco2)n1
• InChI: InChI=1S/C17H19BrN6O3/c1-2-23-11-14(21-15(25)5-6-24-10-12(18)8-20-24)16(22-23)17(26)19-9-13-4-3-7-27-13/h3-4,7-8,10-11H,2,5-6,9H2,1H3,(H,19,26)(H,21,25)
• InChIKey: MHVGACQCWSKCIU-UHFFFAOYSA-N
• XLogP: 2.41
• TPSA: 106.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.28
LogP ≤ 5	2.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-bromopyrazol-1-yl)propanoylamino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide?

The IUPAC name of 4-[3-(4-bromopyrazol-1-yl)propanoylamino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide (CID 19561846) is 4-[3-(4-bromopyrazol-1-yl)propanoylamino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide.

What is the SMILES notation for 4-[3-(4-bromopyrazol-1-yl)propanoylamino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide?

The canonical SMILES for 4-[3-(4-bromopyrazol-1-yl)propanoylamino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide is CCn1cc(NC(=O)CCn2cc(Br)cn2)c(C(=O)NCc2ccco2)n1.

What is the InChIKey of 4-[3-(4-bromopyrazol-1-yl)propanoylamino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide?

The InChIKey is MHVGACQCWSKCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN6O3/c1-2-23-11-14(21-15(25)5-6-24-10-12(18)8-20-24)16(22-23)17(26)19-9-13-4-3-7-27-13/h3-4,7-8,10-11H,2,5-6,9H2,1H3,(H,19,26)(H,21,25).

What are the key properties of 4-[3-(4-bromopyrazol-1-yl)propanoylamino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide?

4-[3-(4-bromopyrazol-1-yl)propanoylamino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide has a molecular weight of 435.28 g/mol, XLogP of 2.41, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-(4-bromopyrazol-1-yl)propanoylamino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19561846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).