1-(4-chlorophenyl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-5-(furan-2-yl)-N-methylpyrazole-3-carboxamide

C25H23ClN4O3 — CID 31935792

About 1-(4-chlorophenyl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-5-(furan-2-yl)-N-methylpyrazole-3-carboxamide

1-(4-chlorophenyl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-5-(furan-2-yl)-N-methylpyrazole-3-carboxamide (PubChem CID 31935792) has the molecular formula C25H23ClN4O3 and a molecular weight of 462.94 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-5-(furan-2-yl)-N-methylpyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 1-(4-chlorophenyl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-5-(furan-2-yl)-N-methylpyrazole-3-carboxamide
• PubChem CID: 31935792
• Molecular Formula: C25H23ClN4O3
• Molecular Weight: 462.94 g/mol
• Exact Mass: 462.15
• IUPAC Name: 1-(4-chlorophenyl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-5-(furan-2-yl)-N-methylpyrazole-3-carboxamide
• SMILES: Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1
• InChI: InChI=1S/C25H23ClN4O3/c1-16-6-4-7-17(2)24(16)27-23(31)15-29(3)25(32)20-14-21(22-8-5-13-33-22)30(28-20)19-11-9-18(26)10-12-19/h4-14H,15H2,1-3H3,(H,27,31)
• InChIKey: OMQUVEITDUJVCF-UHFFFAOYSA-N
• XLogP: 5.11
• TPSA: 80.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	462.94
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-5-(furan-2-yl)-N-methylpyrazole-3-carboxamide?

The IUPAC name of 1-(4-chlorophenyl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-5-(furan-2-yl)-N-methylpyrazole-3-carboxamide (CID 31935792) is 1-(4-chlorophenyl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-5-(furan-2-yl)-N-methylpyrazole-3-carboxamide.

What is the SMILES notation for 1-(4-chlorophenyl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-5-(furan-2-yl)-N-methylpyrazole-3-carboxamide?

The canonical SMILES for 1-(4-chlorophenyl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-5-(furan-2-yl)-N-methylpyrazole-3-carboxamide is Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1.

What is the InChIKey of 1-(4-chlorophenyl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-5-(furan-2-yl)-N-methylpyrazole-3-carboxamide?

The InChIKey is OMQUVEITDUJVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN4O3/c1-16-6-4-7-17(2)24(16)27-23(31)15-29(3)25(32)20-14-21(22-8-5-13-33-22)30(28-20)19-11-9-18(26)10-12-19/h4-14H,15H2,1-3H3,(H,27,31).

What are the key properties of 1-(4-chlorophenyl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-5-(furan-2-yl)-N-methylpyrazole-3-carboxamide?

1-(4-chlorophenyl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-5-(furan-2-yl)-N-methylpyrazole-3-carboxamide has a molecular weight of 462.94 g/mol, XLogP of 5.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-chlorophenyl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-5-(furan-2-yl)-N-methylpyrazole-3-carboxamide is sourced from PubChem (CID 31935792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).