N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide

C22H27N3O3 — CID 19571696

About N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide

N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide (PubChem CID 19571696) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide
• PubChem CID: 19571696
• Molecular Formula: C22H27N3O3
• Molecular Weight: 381.48 g/mol
• Exact Mass: 381.21
• IUPAC Name: N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide
• SMILES: Cc1ccc(C(C)C)c(OCc2ccc(C(=O)NCc3cnn(C)c3C)o2)c1
• InChI: InChI=1S/C22H27N3O3/c1-14(2)19-8-6-15(3)10-21(19)27-13-18-7-9-20(28-18)22(26)23-11-17-12-24-25(5)16(17)4/h6-10,12,14H,11,13H2,1-5H3,(H,23,26)
• InChIKey: LUPJPXFSPRLITJ-UHFFFAOYSA-N
• XLogP: 4.26
• TPSA: 69.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.48
LogP ≤ 5	4.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide?

The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide (CID 19571696) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide.

What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide?

The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide is Cc1ccc(C(C)C)c(OCc2ccc(C(=O)NCc3cnn(C)c3C)o2)c1.

What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide?

The InChIKey is LUPJPXFSPRLITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-14(2)19-8-6-15(3)10-21(19)27-13-18-7-9-20(28-18)22(26)23-11-17-12-24-25(5)16(17)4/h6-10,12,14H,11,13H2,1-5H3,(H,23,26).

What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide?

N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19571696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).