propan-2-yl 1-ethyl-4-[[5-[(3-methoxyphenoxy)methyl]furan-2-carbonyl]amino]pyrazole-3-carboxylate

C22H25N3O6 — CID 19402731

About propan-2-yl 1-ethyl-4-[[5-[(3-methoxyphenoxy)methyl]furan-2-carbonyl]amino]pyrazole-3-carboxylate

propan-2-yl 1-ethyl-4-[[5-[(3-methoxyphenoxy)methyl]furan-2-carbonyl]amino]pyrazole-3-carboxylate (PubChem CID 19402731) has the molecular formula C22H25N3O6 and a molecular weight of 427.46 g/mol. Its IUPAC name is propan-2-yl 1-ethyl-4-[[5-[(3-methoxyphenoxy)methyl]furan-2-carbonyl]amino]pyrazole-3-carboxylate.

Molecular Properties

• Compound Name: propan-2-yl 1-ethyl-4-[[5-[(3-methoxyphenoxy)methyl]furan-2-carbonyl]amino]pyrazole-3-carboxylate
• PubChem CID: 19402731
• Molecular Formula: C22H25N3O6
• Molecular Weight: 427.46 g/mol
• Exact Mass: 427.17
• IUPAC Name: propan-2-yl 1-ethyl-4-[[5-[(3-methoxyphenoxy)methyl]furan-2-carbonyl]amino]pyrazole-3-carboxylate
• SMILES: CCn1cc(NC(=O)c2ccc(COc3cccc(OC)c3)o2)c(C(=O)OC(C)C)n1
• InChI: InChI=1S/C22H25N3O6/c1-5-25-12-18(20(24-25)22(27)30-14(2)3)23-21(26)19-10-9-17(31-19)13-29-16-8-6-7-15(11-16)28-4/h6-12,14H,5,13H2,1-4H3,(H,23,26)
• InChIKey: DUYVHLWRNXZURN-UHFFFAOYSA-N
• XLogP: 3.90
• TPSA: 104.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	427.46
LogP ≤ 5	3.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 1-ethyl-4-[[5-[(3-methoxyphenoxy)methyl]furan-2-carbonyl]amino]pyrazole-3-carboxylate?

The IUPAC name of propan-2-yl 1-ethyl-4-[[5-[(3-methoxyphenoxy)methyl]furan-2-carbonyl]amino]pyrazole-3-carboxylate (CID 19402731) is propan-2-yl 1-ethyl-4-[[5-[(3-methoxyphenoxy)methyl]furan-2-carbonyl]amino]pyrazole-3-carboxylate.

What is the SMILES notation for propan-2-yl 1-ethyl-4-[[5-[(3-methoxyphenoxy)methyl]furan-2-carbonyl]amino]pyrazole-3-carboxylate?

The canonical SMILES for propan-2-yl 1-ethyl-4-[[5-[(3-methoxyphenoxy)methyl]furan-2-carbonyl]amino]pyrazole-3-carboxylate is CCn1cc(NC(=O)c2ccc(COc3cccc(OC)c3)o2)c(C(=O)OC(C)C)n1.

What is the InChIKey of propan-2-yl 1-ethyl-4-[[5-[(3-methoxyphenoxy)methyl]furan-2-carbonyl]amino]pyrazole-3-carboxylate?

The InChIKey is DUYVHLWRNXZURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O6/c1-5-25-12-18(20(24-25)22(27)30-14(2)3)23-21(26)19-10-9-17(31-19)13-29-16-8-6-7-15(11-16)28-4/h6-12,14H,5,13H2,1-4H3,(H,23,26).

What are the key properties of propan-2-yl 1-ethyl-4-[[5-[(3-methoxyphenoxy)methyl]furan-2-carbonyl]amino]pyrazole-3-carboxylate?

propan-2-yl 1-ethyl-4-[[5-[(3-methoxyphenoxy)methyl]furan-2-carbonyl]amino]pyrazole-3-carboxylate has a molecular weight of 427.46 g/mol, XLogP of 3.90, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for propan-2-yl 1-ethyl-4-[[5-[(3-methoxyphenoxy)methyl]furan-2-carbonyl]amino]pyrazole-3-carboxylate is sourced from PubChem (CID 19402731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).