N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-[(3-methylphenoxy)methyl]furan-2-carboxamide

C26H27N3O3 — CID 19465568

About N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-[(3-methylphenoxy)methyl]furan-2-carboxamide

N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-[(3-methylphenoxy)methyl]furan-2-carboxamide (PubChem CID 19465568) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-[(3-methylphenoxy)methyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-[(3-methylphenoxy)methyl]furan-2-carboxamide
• PubChem CID: 19465568
• Molecular Formula: C26H27N3O3
• Molecular Weight: 429.52 g/mol
• Exact Mass: 429.21
• IUPAC Name: N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-[(3-methylphenoxy)methyl]furan-2-carboxamide
• SMILES: Cc1cccc(OCc2ccc(C(=O)Nc3c(C)nn(Cc4ccccc4C)c3C)o2)c1
• InChI: InChI=1S/C26H27N3O3/c1-17-8-7-11-22(14-17)31-16-23-12-13-24(32-23)26(30)27-25-19(3)28-29(20(25)4)15-21-10-6-5-9-18(21)2/h5-14H,15-16H2,1-4H3,(H,27,30)
• InChIKey: DXWCDMPZTXDPBC-UHFFFAOYSA-N
• XLogP: 5.59
• TPSA: 69.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	429.52
LogP ≤ 5	5.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-[(3-methylphenoxy)methyl]furan-2-carboxamide?

The IUPAC name of N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-[(3-methylphenoxy)methyl]furan-2-carboxamide (CID 19465568) is N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-[(3-methylphenoxy)methyl]furan-2-carboxamide.

What is the SMILES notation for N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-[(3-methylphenoxy)methyl]furan-2-carboxamide?

The canonical SMILES for N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-[(3-methylphenoxy)methyl]furan-2-carboxamide is Cc1cccc(OCc2ccc(C(=O)Nc3c(C)nn(Cc4ccccc4C)c3C)o2)c1.

What is the InChIKey of N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-[(3-methylphenoxy)methyl]furan-2-carboxamide?

The InChIKey is DXWCDMPZTXDPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3/c1-17-8-7-11-22(14-17)31-16-23-12-13-24(32-23)26(30)27-25-19(3)28-29(20(25)4)15-21-10-6-5-9-18(21)2/h5-14H,15-16H2,1-4H3,(H,27,30).

What are the key properties of N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-[(3-methylphenoxy)methyl]furan-2-carboxamide?

N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-[(3-methylphenoxy)methyl]furan-2-carboxamide has a molecular weight of 429.52 g/mol, XLogP of 5.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-[(3-methylphenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19465568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).