1-ethyl-N-(furan-2-ylmethyl)-4-[[3-[(4-propan-2-ylphenoxy)methyl]benzoyl]amino]pyrazole-3-carboxamide

C28H30N4O4 — CID 19400220

About 1-ethyl-N-(furan-2-ylmethyl)-4-[[3-[(4-propan-2-ylphenoxy)methyl]benzoyl]amino]pyrazole-3-carboxamide

1-ethyl-N-(furan-2-ylmethyl)-4-[[3-[(4-propan-2-ylphenoxy)methyl]benzoyl]amino]pyrazole-3-carboxamide (PubChem CID 19400220) has the molecular formula C28H30N4O4 and a molecular weight of 486.57 g/mol. Its IUPAC name is 1-ethyl-N-(furan-2-ylmethyl)-4-[[3-[(4-propan-2-ylphenoxy)methyl]benzoyl]amino]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 1-ethyl-N-(furan-2-ylmethyl)-4-[[3-[(4-propan-2-ylphenoxy)methyl]benzoyl]amino]pyrazole-3-carboxamide
• PubChem CID: 19400220
• Molecular Formula: C28H30N4O4
• Molecular Weight: 486.57 g/mol
• Exact Mass: 486.23
• IUPAC Name: 1-ethyl-N-(furan-2-ylmethyl)-4-[[3-[(4-propan-2-ylphenoxy)methyl]benzoyl]amino]pyrazole-3-carboxamide
• SMILES: CCn1cc(NC(=O)c2cccc(COc3ccc(C(C)C)cc3)c2)c(C(=O)NCc2ccco2)n1
• InChI: InChI=1S/C28H30N4O4/c1-4-32-17-25(26(31-32)28(34)29-16-24-9-6-14-35-24)30-27(33)22-8-5-7-20(15-22)18-36-23-12-10-21(11-13-23)19(2)3/h5-15,17,19H,4,16,18H2,1-3H3,(H,29,34)(H,30,33)
• InChIKey: XVFXFXAKXMOEKT-UHFFFAOYSA-N
• XLogP: 5.38
• TPSA: 98.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	486.57
LogP ≤ 5	5.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(furan-2-ylmethyl)-4-[[3-[(4-propan-2-ylphenoxy)methyl]benzoyl]amino]pyrazole-3-carboxamide?

The IUPAC name of 1-ethyl-N-(furan-2-ylmethyl)-4-[[3-[(4-propan-2-ylphenoxy)methyl]benzoyl]amino]pyrazole-3-carboxamide (CID 19400220) is 1-ethyl-N-(furan-2-ylmethyl)-4-[[3-[(4-propan-2-ylphenoxy)methyl]benzoyl]amino]pyrazole-3-carboxamide.

What is the SMILES notation for 1-ethyl-N-(furan-2-ylmethyl)-4-[[3-[(4-propan-2-ylphenoxy)methyl]benzoyl]amino]pyrazole-3-carboxamide?

The canonical SMILES for 1-ethyl-N-(furan-2-ylmethyl)-4-[[3-[(4-propan-2-ylphenoxy)methyl]benzoyl]amino]pyrazole-3-carboxamide is CCn1cc(NC(=O)c2cccc(COc3ccc(C(C)C)cc3)c2)c(C(=O)NCc2ccco2)n1.

What is the InChIKey of 1-ethyl-N-(furan-2-ylmethyl)-4-[[3-[(4-propan-2-ylphenoxy)methyl]benzoyl]amino]pyrazole-3-carboxamide?

The InChIKey is XVFXFXAKXMOEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O4/c1-4-32-17-25(26(31-32)28(34)29-16-24-9-6-14-35-24)30-27(33)22-8-5-7-20(15-22)18-36-23-12-10-21(11-13-23)19(2)3/h5-15,17,19H,4,16,18H2,1-3H3,(H,29,34)(H,30,33).

What are the key properties of 1-ethyl-N-(furan-2-ylmethyl)-4-[[3-[(4-propan-2-ylphenoxy)methyl]benzoyl]amino]pyrazole-3-carboxamide?

1-ethyl-N-(furan-2-ylmethyl)-4-[[3-[(4-propan-2-ylphenoxy)methyl]benzoyl]amino]pyrazole-3-carboxamide has a molecular weight of 486.57 g/mol, XLogP of 5.38, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-N-(furan-2-ylmethyl)-4-[[3-[(4-propan-2-ylphenoxy)methyl]benzoyl]amino]pyrazole-3-carboxamide is sourced from PubChem (CID 19400220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).