1-ethyl-N-(furan-2-ylmethyl)-4-[3-(5-methylpyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide

C18H22N6O3 — CID 19569994

About 1-ethyl-N-(furan-2-ylmethyl)-4-[3-(5-methylpyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide

1-ethyl-N-(furan-2-ylmethyl)-4-[3-(5-methylpyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide (PubChem CID 19569994) has the molecular formula C18H22N6O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is 1-ethyl-N-(furan-2-ylmethyl)-4-[3-(5-methylpyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 1-ethyl-N-(furan-2-ylmethyl)-4-[3-(5-methylpyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide
• PubChem CID: 19569994
• Molecular Formula: C18H22N6O3
• Molecular Weight: 370.41 g/mol
• Exact Mass: 370.18
• IUPAC Name: 1-ethyl-N-(furan-2-ylmethyl)-4-[3-(5-methylpyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide
• SMILES: CCn1cc(NC(=O)CCn2nccc2C)c(C(=O)NCc2ccco2)n1
• InChI: InChI=1S/C18H22N6O3/c1-3-23-12-15(21-16(25)7-9-24-13(2)6-8-20-24)17(22-23)18(26)19-11-14-5-4-10-27-14/h4-6,8,10,12H,3,7,9,11H2,1-2H3,(H,19,26)(H,21,25)
• InChIKey: GSSUXSPTRKXFOF-UHFFFAOYSA-N
• XLogP: 1.96
• 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	370.41
LogP ≤ 5	1.96
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-[3-(5-methylpyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide?

The IUPAC name of 1-ethyl-N-(furan-2-ylmethyl)-4-[3-(5-methylpyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide (CID 19569994) is 1-ethyl-N-(furan-2-ylmethyl)-4-[3-(5-methylpyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide.

What is the SMILES notation for 1-ethyl-N-(furan-2-ylmethyl)-4-[3-(5-methylpyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide?

The canonical SMILES for 1-ethyl-N-(furan-2-ylmethyl)-4-[3-(5-methylpyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide is CCn1cc(NC(=O)CCn2nccc2C)c(C(=O)NCc2ccco2)n1.

What is the InChIKey of 1-ethyl-N-(furan-2-ylmethyl)-4-[3-(5-methylpyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide?

The InChIKey is GSSUXSPTRKXFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O3/c1-3-23-12-15(21-16(25)7-9-24-13(2)6-8-20-24)17(22-23)18(26)19-11-14-5-4-10-27-14/h4-6,8,10,12H,3,7,9,11H2,1-2H3,(H,19,26)(H,21,25).

What are the key properties of 1-ethyl-N-(furan-2-ylmethyl)-4-[3-(5-methylpyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide?

1-ethyl-N-(furan-2-ylmethyl)-4-[3-(5-methylpyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide has a molecular weight of 370.41 g/mol, XLogP of 1.96, 8 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-[3-(5-methylpyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide is sourced from PubChem (CID 19569994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).