1-ethyl-N-(furan-2-ylmethyl)-4-[[1-(pyrazol-1-ylmethyl)pyrazole-3-carbonyl]amino]pyrazole-3-carboxamide

C19H20N8O3 — CID 19264682

About 1-ethyl-N-(furan-2-ylmethyl)-4-[[1-(pyrazol-1-ylmethyl)pyrazole-3-carbonyl]amino]pyrazole-3-carboxamide

1-ethyl-N-(furan-2-ylmethyl)-4-[[1-(pyrazol-1-ylmethyl)pyrazole-3-carbonyl]amino]pyrazole-3-carboxamide (PubChem CID 19264682) has the molecular formula C19H20N8O3 and a molecular weight of 408.42 g/mol. Its IUPAC name is 1-ethyl-N-(furan-2-ylmethyl)-4-[[1-(pyrazol-1-ylmethyl)pyrazole-3-carbonyl]amino]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 1-ethyl-N-(furan-2-ylmethyl)-4-[[1-(pyrazol-1-ylmethyl)pyrazole-3-carbonyl]amino]pyrazole-3-carboxamide
• PubChem CID: 19264682
• Molecular Formula: C19H20N8O3
• Molecular Weight: 408.42 g/mol
• Exact Mass: 408.17
• IUPAC Name: 1-ethyl-N-(furan-2-ylmethyl)-4-[[1-(pyrazol-1-ylmethyl)pyrazole-3-carbonyl]amino]pyrazole-3-carboxamide
• SMILES: CCn1cc(NC(=O)c2ccn(Cn3cccn3)n2)c(C(=O)NCc2ccco2)n1
• InChI: InChI=1S/C19H20N8O3/c1-2-25-12-16(17(24-25)19(29)20-11-14-5-3-10-30-14)22-18(28)15-6-9-27(23-15)13-26-8-4-7-21-26/h3-10,12H,2,11,13H2,1H3,(H,20,29)(H,22,28)
• InChIKey: JHDCEEOABNTLQB-UHFFFAOYSA-N
• XLogP: 1.58
• TPSA: 124.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	408.42
LogP ≤ 5	1.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(furan-2-ylmethyl)-4-[[1-(pyrazol-1-ylmethyl)pyrazole-3-carbonyl]amino]pyrazole-3-carboxamide?

The IUPAC name of 1-ethyl-N-(furan-2-ylmethyl)-4-[[1-(pyrazol-1-ylmethyl)pyrazole-3-carbonyl]amino]pyrazole-3-carboxamide (CID 19264682) is 1-ethyl-N-(furan-2-ylmethyl)-4-[[1-(pyrazol-1-ylmethyl)pyrazole-3-carbonyl]amino]pyrazole-3-carboxamide.

What is the SMILES notation for 1-ethyl-N-(furan-2-ylmethyl)-4-[[1-(pyrazol-1-ylmethyl)pyrazole-3-carbonyl]amino]pyrazole-3-carboxamide?

The canonical SMILES for 1-ethyl-N-(furan-2-ylmethyl)-4-[[1-(pyrazol-1-ylmethyl)pyrazole-3-carbonyl]amino]pyrazole-3-carboxamide is CCn1cc(NC(=O)c2ccn(Cn3cccn3)n2)c(C(=O)NCc2ccco2)n1.

What is the InChIKey of 1-ethyl-N-(furan-2-ylmethyl)-4-[[1-(pyrazol-1-ylmethyl)pyrazole-3-carbonyl]amino]pyrazole-3-carboxamide?

The InChIKey is JHDCEEOABNTLQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N8O3/c1-2-25-12-16(17(24-25)19(29)20-11-14-5-3-10-30-14)22-18(28)15-6-9-27(23-15)13-26-8-4-7-21-26/h3-10,12H,2,11,13H2,1H3,(H,20,29)(H,22,28).

What are the key properties of 1-ethyl-N-(furan-2-ylmethyl)-4-[[1-(pyrazol-1-ylmethyl)pyrazole-3-carbonyl]amino]pyrazole-3-carboxamide?

1-ethyl-N-(furan-2-ylmethyl)-4-[[1-(pyrazol-1-ylmethyl)pyrazole-3-carbonyl]amino]pyrazole-3-carboxamide has a molecular weight of 408.42 g/mol, XLogP of 1.58, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-N-(furan-2-ylmethyl)-4-[[1-(pyrazol-1-ylmethyl)pyrazole-3-carbonyl]amino]pyrazole-3-carboxamide is sourced from PubChem (CID 19264682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).