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

C24H32ClN3O2 — CID 19448416

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

N-[1-(1-adamantyl)propyl]-5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide (PubChem CID 19448416) has the molecular formula C24H32ClN3O2 and a molecular weight of 429.99 g/mol. Its IUPAC name is N-[1-(1-adamantyl)propyl]-5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-(1-adamantyl)propyl]-5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide
• PubChem CID: 19448416
• Molecular Formula: C24H32ClN3O2
• Molecular Weight: 429.99 g/mol
• Exact Mass: 429.22
• IUPAC Name: N-[1-(1-adamantyl)propyl]-5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide
• SMILES: CCC(NC(=O)c1ccc(Cn2nc(C)c(Cl)c2C)o1)C12CC3CC(CC(C3)C1)C2
• InChI: InChI=1S/C24H32ClN3O2/c1-4-21(24-10-16-7-17(11-24)9-18(8-16)12-24)26-23(29)20-6-5-19(30-20)13-28-15(3)22(25)14(2)27-28/h5-6,16-18,21H,4,7-13H2,1-3H3,(H,26,29)
• InChIKey: SUJLTNIOJGAQMS-UHFFFAOYSA-N
• XLogP: 5.52
• TPSA: 60.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	429.99
LogP ≤ 5	5.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-[1-(1-adamantyl)propyl]-5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide (CID 19448416) is N-[1-(1-adamantyl)propyl]-5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide.

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

The canonical SMILES for N-[1-(1-adamantyl)propyl]-5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide is CCC(NC(=O)c1ccc(Cn2nc(C)c(Cl)c2C)o1)C12CC3CC(CC(C3)C1)C2.

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

The InChIKey is SUJLTNIOJGAQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32ClN3O2/c1-4-21(24-10-16-7-17(11-24)9-18(8-16)12-24)26-23(29)20-6-5-19(30-20)13-28-15(3)22(25)14(2)27-28/h5-6,16-18,21H,4,7-13H2,1-3H3,(H,26,29).

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

N-[1-(1-adamantyl)propyl]-5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide has a molecular weight of 429.99 g/mol, XLogP of 5.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(1-adamantyl)propyl]-5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 19448416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).