1-benzyl-3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(furan-3-carbonyl)pyrazol-3-yl]pyridin-2-one

C25H19ClN4O3S — CID 133081140

About 1-benzyl-3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(furan-3-carbonyl)pyrazol-3-yl]pyridin-2-one

1-benzyl-3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(furan-3-carbonyl)pyrazol-3-yl]pyridin-2-one (PubChem CID 133081140) has the molecular formula C25H19ClN4O3S and a molecular weight of 490.97 g/mol. Its IUPAC name is 1-benzyl-3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(furan-3-carbonyl)pyrazol-3-yl]pyridin-2-one.

Molecular Properties

• Compound Name: 1-benzyl-3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(furan-3-carbonyl)pyrazol-3-yl]pyridin-2-one
• PubChem CID: 133081140
• Molecular Formula: C25H19ClN4O3S
• Molecular Weight: 490.97 g/mol
• Exact Mass: 490.09
• IUPAC Name: 1-benzyl-3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(furan-3-carbonyl)pyrazol-3-yl]pyridin-2-one
• SMILES: O=C(c1ccoc1)n1nc(-c2cccn(Cc3ccccc3)c2=O)cc1NCc1ccc(Cl)s1
• InChI: InChI=1S/C25H19ClN4O3S/c26-22-9-8-19(34-22)14-27-23-13-21(28-30(23)24(31)18-10-12-33-16-18)20-7-4-11-29(25(20)32)15-17-5-2-1-3-6-17/h1-13,16,27H,14-15H2
• InChIKey: OJKCWONNWDEBDG-UHFFFAOYSA-N
• XLogP: 5.37
• TPSA: 82.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	490.97
LogP ≤ 5	5.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(furan-3-carbonyl)pyrazol-3-yl]pyridin-2-one?

The IUPAC name of 1-benzyl-3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(furan-3-carbonyl)pyrazol-3-yl]pyridin-2-one (CID 133081140) is 1-benzyl-3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(furan-3-carbonyl)pyrazol-3-yl]pyridin-2-one.

What is the SMILES notation for 1-benzyl-3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(furan-3-carbonyl)pyrazol-3-yl]pyridin-2-one?

The canonical SMILES for 1-benzyl-3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(furan-3-carbonyl)pyrazol-3-yl]pyridin-2-one is O=C(c1ccoc1)n1nc(-c2cccn(Cc3ccccc3)c2=O)cc1NCc1ccc(Cl)s1.

What is the InChIKey of 1-benzyl-3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(furan-3-carbonyl)pyrazol-3-yl]pyridin-2-one?

The InChIKey is OJKCWONNWDEBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClN4O3S/c26-22-9-8-19(34-22)14-27-23-13-21(28-30(23)24(31)18-10-12-33-16-18)20-7-4-11-29(25(20)32)15-17-5-2-1-3-6-17/h1-13,16,27H,14-15H2.

What are the key properties of 1-benzyl-3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(furan-3-carbonyl)pyrazol-3-yl]pyridin-2-one?

1-benzyl-3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(furan-3-carbonyl)pyrazol-3-yl]pyridin-2-one has a molecular weight of 490.97 g/mol, XLogP of 5.37, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzyl-3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(furan-3-carbonyl)pyrazol-3-yl]pyridin-2-one is sourced from PubChem (CID 133081140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).