N-[5-(diethylamino)pentan-2-yl]-1-(2,4-dimethylphenyl)-3-(5-methylfuran-2-yl)pyrazole-5-carboxamide

C26H36N4O2 — CID 5233969

About N-[5-(diethylamino)pentan-2-yl]-1-(2,4-dimethylphenyl)-3-(5-methylfuran-2-yl)pyrazole-5-carboxamide

N-[5-(diethylamino)pentan-2-yl]-1-(2,4-dimethylphenyl)-3-(5-methylfuran-2-yl)pyrazole-5-carboxamide (PubChem CID 5233969) has the molecular formula C26H36N4O2 and a molecular weight of 436.60 g/mol. Its IUPAC name is N-[5-(diethylamino)pentan-2-yl]-1-(2,4-dimethylphenyl)-3-(5-methylfuran-2-yl)pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[5-(diethylamino)pentan-2-yl]-1-(2,4-dimethylphenyl)-3-(5-methylfuran-2-yl)pyrazole-5-carboxamide
• PubChem CID: 5233969
• Molecular Formula: C26H36N4O2
• Molecular Weight: 436.60 g/mol
• Exact Mass: 436.28
• IUPAC Name: N-[5-(diethylamino)pentan-2-yl]-1-(2,4-dimethylphenyl)-3-(5-methylfuran-2-yl)pyrazole-5-carboxamide
• SMILES: CCN(CC)CCCC(C)NC(=O)c1cc(-c2ccc(C)o2)nn1-c1ccc(C)cc1C
• InChI: InChI=1S/C26H36N4O2/c1-7-29(8-2)15-9-10-20(5)27-26(31)24-17-22(25-14-12-21(6)32-25)28-30(24)23-13-11-18(3)16-19(23)4/h11-14,16-17,20H,7-10,15H2,1-6H3,(H,27,31)
• InChIKey: GFBFFBCJMLPMFY-UHFFFAOYSA-N
• XLogP: 5.30
• TPSA: 63.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	436.60
LogP ≤ 5	5.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylamino)pentan-2-yl]-1-(2,4-dimethylphenyl)-3-(5-methylfuran-2-yl)pyrazole-5-carboxamide?

The IUPAC name of N-[5-(diethylamino)pentan-2-yl]-1-(2,4-dimethylphenyl)-3-(5-methylfuran-2-yl)pyrazole-5-carboxamide (CID 5233969) is N-[5-(diethylamino)pentan-2-yl]-1-(2,4-dimethylphenyl)-3-(5-methylfuran-2-yl)pyrazole-5-carboxamide.

What is the SMILES notation for N-[5-(diethylamino)pentan-2-yl]-1-(2,4-dimethylphenyl)-3-(5-methylfuran-2-yl)pyrazole-5-carboxamide?

The canonical SMILES for N-[5-(diethylamino)pentan-2-yl]-1-(2,4-dimethylphenyl)-3-(5-methylfuran-2-yl)pyrazole-5-carboxamide is CCN(CC)CCCC(C)NC(=O)c1cc(-c2ccc(C)o2)nn1-c1ccc(C)cc1C.

What is the InChIKey of N-[5-(diethylamino)pentan-2-yl]-1-(2,4-dimethylphenyl)-3-(5-methylfuran-2-yl)pyrazole-5-carboxamide?

The InChIKey is GFBFFBCJMLPMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O2/c1-7-29(8-2)15-9-10-20(5)27-26(31)24-17-22(25-14-12-21(6)32-25)28-30(24)23-13-11-18(3)16-19(23)4/h11-14,16-17,20H,7-10,15H2,1-6H3,(H,27,31).

What are the key properties of N-[5-(diethylamino)pentan-2-yl]-1-(2,4-dimethylphenyl)-3-(5-methylfuran-2-yl)pyrazole-5-carboxamide?

N-[5-(diethylamino)pentan-2-yl]-1-(2,4-dimethylphenyl)-3-(5-methylfuran-2-yl)pyrazole-5-carboxamide has a molecular weight of 436.60 g/mol, XLogP of 5.30, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(diethylamino)pentan-2-yl]-1-(2,4-dimethylphenyl)-3-(5-methylfuran-2-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 5233969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).