1-methyl-4-[[5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carbonyl]amino]-N-propylpyrazole-5-carboxamide

C29H32N4O4 — CID 19396316

About 1-methyl-4-[[5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carbonyl]amino]-N-propylpyrazole-5-carboxamide

1-methyl-4-[[5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carbonyl]amino]-N-propylpyrazole-5-carboxamide (PubChem CID 19396316) has the molecular formula C29H32N4O4 and a molecular weight of 500.60 g/mol. Its IUPAC name is 1-methyl-4-[[5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carbonyl]amino]-N-propylpyrazole-5-carboxamide.

Molecular Properties

• Compound Name: 1-methyl-4-[[5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carbonyl]amino]-N-propylpyrazole-5-carboxamide
• PubChem CID: 19396316
• Molecular Formula: C29H32N4O4
• Molecular Weight: 500.60 g/mol
• Exact Mass: 500.24
• IUPAC Name: 1-methyl-4-[[5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carbonyl]amino]-N-propylpyrazole-5-carboxamide
• SMILES: CCCNC(=O)c1c(NC(=O)c2ccc(COc3ccc(C(C)(C)c4ccccc4)cc3)o2)cnn1C
• InChI: InChI=1S/C29H32N4O4/c1-5-17-30-28(35)26-24(18-31-33(26)4)32-27(34)25-16-15-23(37-25)19-36-22-13-11-21(12-14-22)29(2,3)20-9-7-6-8-10-20/h6-16,18H,5,17,19H2,1-4H3,(H,30,35)(H,32,34)
• InChIKey: DIQGRCKPVIQLHE-UHFFFAOYSA-N
• XLogP: 5.31
• TPSA: 98.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	500.60
LogP ≤ 5	5.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[[5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carbonyl]amino]-N-propylpyrazole-5-carboxamide?

The IUPAC name of 1-methyl-4-[[5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carbonyl]amino]-N-propylpyrazole-5-carboxamide (CID 19396316) is 1-methyl-4-[[5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carbonyl]amino]-N-propylpyrazole-5-carboxamide.

What is the SMILES notation for 1-methyl-4-[[5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carbonyl]amino]-N-propylpyrazole-5-carboxamide?

The canonical SMILES for 1-methyl-4-[[5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carbonyl]amino]-N-propylpyrazole-5-carboxamide is CCCNC(=O)c1c(NC(=O)c2ccc(COc3ccc(C(C)(C)c4ccccc4)cc3)o2)cnn1C.

What is the InChIKey of 1-methyl-4-[[5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carbonyl]amino]-N-propylpyrazole-5-carboxamide?

The InChIKey is DIQGRCKPVIQLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O4/c1-5-17-30-28(35)26-24(18-31-33(26)4)32-27(34)25-16-15-23(37-25)19-36-22-13-11-21(12-14-22)29(2,3)20-9-7-6-8-10-20/h6-16,18H,5,17,19H2,1-4H3,(H,30,35)(H,32,34).

What are the key properties of 1-methyl-4-[[5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carbonyl]amino]-N-propylpyrazole-5-carboxamide?

1-methyl-4-[[5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carbonyl]amino]-N-propylpyrazole-5-carboxamide has a molecular weight of 500.60 g/mol, XLogP of 5.31, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-4-[[5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carbonyl]amino]-N-propylpyrazole-5-carboxamide is sourced from PubChem (CID 19396316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).