3-(1-methoxypropan-2-yloxy)-N-(1-methylpyrazol-3-yl)-5-[4-(pyrrolidine-1-carbonyl)phenoxy]benzamide

C26H30N4O5 — CID 71021574

About 3-(1-methoxypropan-2-yloxy)-N-(1-methylpyrazol-3-yl)-5-[4-(pyrrolidine-1-carbonyl)phenoxy]benzamide

3-(1-methoxypropan-2-yloxy)-N-(1-methylpyrazol-3-yl)-5-[4-(pyrrolidine-1-carbonyl)phenoxy]benzamide (PubChem CID 71021574) has the molecular formula C26H30N4O5 and a molecular weight of 478.55 g/mol. Its IUPAC name is 3-(1-methoxypropan-2-yloxy)-N-(1-methylpyrazol-3-yl)-5-[4-(pyrrolidine-1-carbonyl)phenoxy]benzamide.

Molecular Properties

• Compound Name: 3-(1-methoxypropan-2-yloxy)-N-(1-methylpyrazol-3-yl)-5-[4-(pyrrolidine-1-carbonyl)phenoxy]benzamide
• PubChem CID: 71021574
• Molecular Formula: C26H30N4O5
• Molecular Weight: 478.55 g/mol
• Exact Mass: 478.22
• IUPAC Name: 3-(1-methoxypropan-2-yloxy)-N-(1-methylpyrazol-3-yl)-5-[4-(pyrrolidine-1-carbonyl)phenoxy]benzamide
• SMILES: COCC(C)Oc1cc(Oc2ccc(C(=O)N3CCCC3)cc2)cc(C(=O)Nc2ccn(C)n2)c1
• InChI: InChI=1S/C26H30N4O5/c1-18(17-33-3)34-22-14-20(25(31)27-24-10-13-29(2)28-24)15-23(16-22)35-21-8-6-19(7-9-21)26(32)30-11-4-5-12-30/h6-10,13-16,18H,4-5,11-12,17H2,1-3H3,(H,27,28,31)
• InChIKey: LRYCGNUBUCZNHT-UHFFFAOYSA-N
• XLogP: 4.11
• TPSA: 94.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.55
LogP ≤ 5	4.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-(1-methoxypropan-2-yloxy)-N-(1-methylpyrazol-3-yl)-5-[4-(pyrrolidine-1-carbonyl)phenoxy]benzamide?

The IUPAC name of 3-(1-methoxypropan-2-yloxy)-N-(1-methylpyrazol-3-yl)-5-[4-(pyrrolidine-1-carbonyl)phenoxy]benzamide (CID 71021574) is 3-(1-methoxypropan-2-yloxy)-N-(1-methylpyrazol-3-yl)-5-[4-(pyrrolidine-1-carbonyl)phenoxy]benzamide.

What is the SMILES notation for 3-(1-methoxypropan-2-yloxy)-N-(1-methylpyrazol-3-yl)-5-[4-(pyrrolidine-1-carbonyl)phenoxy]benzamide?

The canonical SMILES for 3-(1-methoxypropan-2-yloxy)-N-(1-methylpyrazol-3-yl)-5-[4-(pyrrolidine-1-carbonyl)phenoxy]benzamide is COCC(C)Oc1cc(Oc2ccc(C(=O)N3CCCC3)cc2)cc(C(=O)Nc2ccn(C)n2)c1.

What is the InChIKey of 3-(1-methoxypropan-2-yloxy)-N-(1-methylpyrazol-3-yl)-5-[4-(pyrrolidine-1-carbonyl)phenoxy]benzamide?

The InChIKey is LRYCGNUBUCZNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O5/c1-18(17-33-3)34-22-14-20(25(31)27-24-10-13-29(2)28-24)15-23(16-22)35-21-8-6-19(7-9-21)26(32)30-11-4-5-12-30/h6-10,13-16,18H,4-5,11-12,17H2,1-3H3,(H,27,28,31).

What are the key properties of 3-(1-methoxypropan-2-yloxy)-N-(1-methylpyrazol-3-yl)-5-[4-(pyrrolidine-1-carbonyl)phenoxy]benzamide?

3-(1-methoxypropan-2-yloxy)-N-(1-methylpyrazol-3-yl)-5-[4-(pyrrolidine-1-carbonyl)phenoxy]benzamide has a molecular weight of 478.55 g/mol, XLogP of 4.11, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1-methoxypropan-2-yloxy)-N-(1-methylpyrazol-3-yl)-5-[4-(pyrrolidine-1-carbonyl)phenoxy]benzamide is sourced from PubChem (CID 71021574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).