N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-5-[(2-chloro-6-methylphenoxy)methyl]furan-2-carboxamide

C23H18Cl2FN3O3 — CID 19409182

About N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-5-[(2-chloro-6-methylphenoxy)methyl]furan-2-carboxamide

N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-5-[(2-chloro-6-methylphenoxy)methyl]furan-2-carboxamide (PubChem CID 19409182) has the molecular formula C23H18Cl2FN3O3 and a molecular weight of 474.32 g/mol. Its IUPAC name is N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-5-[(2-chloro-6-methylphenoxy)methyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-5-[(2-chloro-6-methylphenoxy)methyl]furan-2-carboxamide
• PubChem CID: 19409182
• Molecular Formula: C23H18Cl2FN3O3
• Molecular Weight: 474.32 g/mol
• Exact Mass: 473.07
• IUPAC Name: N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-5-[(2-chloro-6-methylphenoxy)methyl]furan-2-carboxamide
• SMILES: Cc1cccc(Cl)c1OCc1ccc(C(=O)Nc2nn(Cc3ccc(F)cc3)cc2Cl)o1
• InChI: InChI=1S/C23H18Cl2FN3O3/c1-14-3-2-4-18(24)21(14)31-13-17-9-10-20(32-17)23(30)27-22-19(25)12-29(28-22)11-15-5-7-16(26)8-6-15/h2-10,12H,11,13H2,1H3,(H,27,28,30)
• InChIKey: VCRMCZCPTKNQBH-UHFFFAOYSA-N
• XLogP: 6.11
• 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	474.32
LogP ≤ 5	6.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-5-[(2-chloro-6-methylphenoxy)methyl]furan-2-carboxamide?

The IUPAC name of N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-5-[(2-chloro-6-methylphenoxy)methyl]furan-2-carboxamide (CID 19409182) is N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-5-[(2-chloro-6-methylphenoxy)methyl]furan-2-carboxamide.

What is the SMILES notation for N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-5-[(2-chloro-6-methylphenoxy)methyl]furan-2-carboxamide?

The canonical SMILES for N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-5-[(2-chloro-6-methylphenoxy)methyl]furan-2-carboxamide is Cc1cccc(Cl)c1OCc1ccc(C(=O)Nc2nn(Cc3ccc(F)cc3)cc2Cl)o1.

What is the InChIKey of N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-5-[(2-chloro-6-methylphenoxy)methyl]furan-2-carboxamide?

The InChIKey is VCRMCZCPTKNQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl2FN3O3/c1-14-3-2-4-18(24)21(14)31-13-17-9-10-20(32-17)23(30)27-22-19(25)12-29(28-22)11-15-5-7-16(26)8-6-15/h2-10,12H,11,13H2,1H3,(H,27,28,30).

What are the key properties of N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-5-[(2-chloro-6-methylphenoxy)methyl]furan-2-carboxamide?

N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-5-[(2-chloro-6-methylphenoxy)methyl]furan-2-carboxamide has a molecular weight of 474.32 g/mol, XLogP of 6.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-5-[(2-chloro-6-methylphenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19409182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).