1-ethyl-N-(furan-2-ylmethyl)-4-[[2-(3-methylpyrazol-1-yl)acetyl]amino]pyrazole-3-carboxamide

C17H20N6O3 — CID 19516989

About 1-ethyl-N-(furan-2-ylmethyl)-4-[[2-(3-methylpyrazol-1-yl)acetyl]amino]pyrazole-3-carboxamide

1-ethyl-N-(furan-2-ylmethyl)-4-[[2-(3-methylpyrazol-1-yl)acetyl]amino]pyrazole-3-carboxamide (PubChem CID 19516989) has the molecular formula C17H20N6O3 and a molecular weight of 356.39 g/mol. Its IUPAC name is 1-ethyl-N-(furan-2-ylmethyl)-4-[[2-(3-methylpyrazol-1-yl)acetyl]amino]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 1-ethyl-N-(furan-2-ylmethyl)-4-[[2-(3-methylpyrazol-1-yl)acetyl]amino]pyrazole-3-carboxamide
• PubChem CID: 19516989
• Molecular Formula: C17H20N6O3
• Molecular Weight: 356.39 g/mol
• Exact Mass: 356.16
• IUPAC Name: 1-ethyl-N-(furan-2-ylmethyl)-4-[[2-(3-methylpyrazol-1-yl)acetyl]amino]pyrazole-3-carboxamide
• SMILES: CCn1cc(NC(=O)Cn2ccc(C)n2)c(C(=O)NCc2ccco2)n1
• InChI: InChI=1S/C17H20N6O3/c1-3-22-10-14(19-15(24)11-23-7-6-12(2)20-23)16(21-22)17(25)18-9-13-5-4-8-26-13/h4-8,10H,3,9,11H2,1-2H3,(H,18,25)(H,19,24)
• InChIKey: VNDLWBVKJHLUHD-UHFFFAOYSA-N
• XLogP: 1.57
• TPSA: 106.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	356.39
LogP ≤ 5	1.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 1-ethyl-N-(furan-2-ylmethyl)-4-[[2-(3-methylpyrazol-1-yl)acetyl]amino]pyrazole-3-carboxamide (CID 19516989) is 1-ethyl-N-(furan-2-ylmethyl)-4-[[2-(3-methylpyrazol-1-yl)acetyl]amino]pyrazole-3-carboxamide.

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

The canonical SMILES for 1-ethyl-N-(furan-2-ylmethyl)-4-[[2-(3-methylpyrazol-1-yl)acetyl]amino]pyrazole-3-carboxamide is CCn1cc(NC(=O)Cn2ccc(C)n2)c(C(=O)NCc2ccco2)n1.

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

The InChIKey is VNDLWBVKJHLUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O3/c1-3-22-10-14(19-15(24)11-23-7-6-12(2)20-23)16(21-22)17(25)18-9-13-5-4-8-26-13/h4-8,10H,3,9,11H2,1-2H3,(H,18,25)(H,19,24).

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

1-ethyl-N-(furan-2-ylmethyl)-4-[[2-(3-methylpyrazol-1-yl)acetyl]amino]pyrazole-3-carboxamide has a molecular weight of 356.39 g/mol, XLogP of 1.57, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-N-(furan-2-ylmethyl)-4-[[2-(3-methylpyrazol-1-yl)acetyl]amino]pyrazole-3-carboxamide is sourced from PubChem (CID 19516989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).