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

C25H25N7O2 — CID 19614121

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

5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[4-[3-(1,5-dimethylpyrazol-4-yl)pyrazol-1-yl]phenyl]furan-2-carboxamide (PubChem CID 19614121) has the molecular formula C25H25N7O2 and a molecular weight of 455.52 g/mol. Its IUPAC name is 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[4-[3-(1,5-dimethylpyrazol-4-yl)pyrazol-1-yl]phenyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[4-[3-(1,5-dimethylpyrazol-4-yl)pyrazol-1-yl]phenyl]furan-2-carboxamide
• PubChem CID: 19614121
• Molecular Formula: C25H25N7O2
• Molecular Weight: 455.52 g/mol
• Exact Mass: 455.21
• IUPAC Name: 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[4-[3-(1,5-dimethylpyrazol-4-yl)pyrazol-1-yl]phenyl]furan-2-carboxamide
• SMILES: Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccc(-n4ccc(-c5cnn(C)c5C)n4)cc3)o2)n1
• InChI: InChI=1S/C25H25N7O2/c1-16-13-17(2)32(28-16)15-21-9-10-24(34-21)25(33)27-19-5-7-20(8-6-19)31-12-11-23(29-31)22-14-26-30(4)18(22)3/h5-14H,15H2,1-4H3,(H,27,33)
• InChIKey: PWIMLBPRSHNUKZ-UHFFFAOYSA-N
• XLogP: 4.29
• TPSA: 95.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	455.52
LogP ≤ 5	4.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[4-[3-(1,5-dimethylpyrazol-4-yl)pyrazol-1-yl]phenyl]furan-2-carboxamide (CID 19614121) is 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[4-[3-(1,5-dimethylpyrazol-4-yl)pyrazol-1-yl]phenyl]furan-2-carboxamide.

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

The canonical SMILES for 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[4-[3-(1,5-dimethylpyrazol-4-yl)pyrazol-1-yl]phenyl]furan-2-carboxamide is Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccc(-n4ccc(-c5cnn(C)c5C)n4)cc3)o2)n1.

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

The InChIKey is PWIMLBPRSHNUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O2/c1-16-13-17(2)32(28-16)15-21-9-10-24(34-21)25(33)27-19-5-7-20(8-6-19)31-12-11-23(29-31)22-14-26-30(4)18(22)3/h5-14H,15H2,1-4H3,(H,27,33).

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

5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[4-[3-(1,5-dimethylpyrazol-4-yl)pyrazol-1-yl]phenyl]furan-2-carboxamide has a molecular weight of 455.52 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[4-[3-(1,5-dimethylpyrazol-4-yl)pyrazol-1-yl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 19614121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).