N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-1-(4-chlorophenyl)-5-(furan-2-yl)-N-methylpyrazole-3-carboxamide

C24H20Cl2N4O4 — CID 55529997

About N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-1-(4-chlorophenyl)-5-(furan-2-yl)-N-methylpyrazole-3-carboxamide

N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-1-(4-chlorophenyl)-5-(furan-2-yl)-N-methylpyrazole-3-carboxamide (PubChem CID 55529997) has the molecular formula C24H20Cl2N4O4 and a molecular weight of 499.35 g/mol. Its IUPAC name is N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-1-(4-chlorophenyl)-5-(furan-2-yl)-N-methylpyrazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-1-(4-chlorophenyl)-5-(furan-2-yl)-N-methylpyrazole-3-carboxamide
• PubChem CID: 55529997
• Molecular Formula: C24H20Cl2N4O4
• Molecular Weight: 499.35 g/mol
• Exact Mass: 498.09
• IUPAC Name: N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-1-(4-chlorophenyl)-5-(furan-2-yl)-N-methylpyrazole-3-carboxamide
• SMILES: COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1
• InChI: InChI=1S/C24H20Cl2N4O4/c1-29(14-23(31)27-18-12-16(26)7-10-21(18)33-2)24(32)19-13-20(22-4-3-11-34-22)30(28-19)17-8-5-15(25)6-9-17/h3-13H,14H2,1-2H3,(H,27,31)
• InChIKey: JAMOTKJZXYGOPU-UHFFFAOYSA-N
• XLogP: 5.16
• TPSA: 89.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	499.35
LogP ≤ 5	5.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-1-(4-chlorophenyl)-5-(furan-2-yl)-N-methylpyrazole-3-carboxamide (CID 55529997) is N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-1-(4-chlorophenyl)-5-(furan-2-yl)-N-methylpyrazole-3-carboxamide.

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

The canonical SMILES for N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-1-(4-chlorophenyl)-5-(furan-2-yl)-N-methylpyrazole-3-carboxamide is COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1.

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

The InChIKey is JAMOTKJZXYGOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2N4O4/c1-29(14-23(31)27-18-12-16(26)7-10-21(18)33-2)24(32)19-13-20(22-4-3-11-34-22)30(28-19)17-8-5-15(25)6-9-17/h3-13H,14H2,1-2H3,(H,27,31).

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

N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-1-(4-chlorophenyl)-5-(furan-2-yl)-N-methylpyrazole-3-carboxamide has a molecular weight of 499.35 g/mol, XLogP of 5.16, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-1-(4-chlorophenyl)-5-(furan-2-yl)-N-methylpyrazole-3-carboxamide is sourced from PubChem (CID 55529997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).