5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide

C25H28ClN5O4 — CID 19448496

About 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide

5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide (PubChem CID 19448496) has the molecular formula C25H28ClN5O4 and a molecular weight of 497.98 g/mol. Its IUPAC name is 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide
• PubChem CID: 19448496
• Molecular Formula: C25H28ClN5O4
• Molecular Weight: 497.98 g/mol
• Exact Mass: 497.18
• IUPAC Name: 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide
• SMILES: CCOc1ccc(Cn2cc(NC(=O)c3ccc(Cn4nc(C)c(Cl)c4C)o3)cn2)cc1OCC
• InChI: InChI=1S/C25H28ClN5O4/c1-5-33-21-9-7-18(11-23(21)34-6-2)13-30-14-19(12-27-30)28-25(32)22-10-8-20(35-22)15-31-17(4)24(26)16(3)29-31/h7-12,14H,5-6,13,15H2,1-4H3,(H,28,32)
• InChIKey: RKTINRTWAXWSEZ-UHFFFAOYSA-N
• XLogP: 5.09
• TPSA: 96.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	497.98
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide (CID 19448496) is 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide.

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

The canonical SMILES for 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide is CCOc1ccc(Cn2cc(NC(=O)c3ccc(Cn4nc(C)c(Cl)c4C)o3)cn2)cc1OCC.

What is the InChIKey of 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide?

The InChIKey is RKTINRTWAXWSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClN5O4/c1-5-33-21-9-7-18(11-23(21)34-6-2)13-30-14-19(12-27-30)28-25(32)22-10-8-20(35-22)15-31-17(4)24(26)16(3)29-31/h7-12,14H,5-6,13,15H2,1-4H3,(H,28,32).

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

5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide has a molecular weight of 497.98 g/mol, XLogP of 5.09, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide is sourced from PubChem (CID 19448496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).