5-(4-chlorophenyl)-4-[2-(diethylamino)ethyl]-N-(4-propan-2-yloxyphenyl)-3,4-dihydropyrazole-2-carboxamide

C25H33ClN4O2 — CID 14278896

About 5-(4-chlorophenyl)-4-[2-(diethylamino)ethyl]-N-(4-propan-2-yloxyphenyl)-3,4-dihydropyrazole-2-carboxamide

5-(4-chlorophenyl)-4-[2-(diethylamino)ethyl]-N-(4-propan-2-yloxyphenyl)-3,4-dihydropyrazole-2-carboxamide (PubChem CID 14278896) has the molecular formula C25H33ClN4O2 and a molecular weight of 457.02 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-4-[2-(diethylamino)ethyl]-N-(4-propan-2-yloxyphenyl)-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

• Compound Name: 5-(4-chlorophenyl)-4-[2-(diethylamino)ethyl]-N-(4-propan-2-yloxyphenyl)-3,4-dihydropyrazole-2-carboxamide
• PubChem CID: 14278896
• Molecular Formula: C25H33ClN4O2
• Molecular Weight: 457.02 g/mol
• Exact Mass: 456.23
• IUPAC Name: 5-(4-chlorophenyl)-4-[2-(diethylamino)ethyl]-N-(4-propan-2-yloxyphenyl)-3,4-dihydropyrazole-2-carboxamide
• SMILES: CCN(CC)CCC1CN(C(=O)Nc2ccc(OC(C)C)cc2)N=C1c1ccc(Cl)cc1
• InChI: InChI=1S/C25H33ClN4O2/c1-5-29(6-2)16-15-20-17-30(28-24(20)19-7-9-21(26)10-8-19)25(31)27-22-11-13-23(14-12-22)32-18(3)4/h7-14,18,20H,5-6,15-17H2,1-4H3,(H,27,31)
• InChIKey: WXRVUSPOYOEULQ-UHFFFAOYSA-N
• XLogP: 5.73
• TPSA: 57.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	457.02
LogP ≤ 5	5.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-4-[2-(diethylamino)ethyl]-N-(4-propan-2-yloxyphenyl)-3,4-dihydropyrazole-2-carboxamide?

The IUPAC name of 5-(4-chlorophenyl)-4-[2-(diethylamino)ethyl]-N-(4-propan-2-yloxyphenyl)-3,4-dihydropyrazole-2-carboxamide (CID 14278896) is 5-(4-chlorophenyl)-4-[2-(diethylamino)ethyl]-N-(4-propan-2-yloxyphenyl)-3,4-dihydropyrazole-2-carboxamide.

What is the SMILES notation for 5-(4-chlorophenyl)-4-[2-(diethylamino)ethyl]-N-(4-propan-2-yloxyphenyl)-3,4-dihydropyrazole-2-carboxamide?

The canonical SMILES for 5-(4-chlorophenyl)-4-[2-(diethylamino)ethyl]-N-(4-propan-2-yloxyphenyl)-3,4-dihydropyrazole-2-carboxamide is CCN(CC)CCC1CN(C(=O)Nc2ccc(OC(C)C)cc2)N=C1c1ccc(Cl)cc1.

What is the InChIKey of 5-(4-chlorophenyl)-4-[2-(diethylamino)ethyl]-N-(4-propan-2-yloxyphenyl)-3,4-dihydropyrazole-2-carboxamide?

The InChIKey is WXRVUSPOYOEULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33ClN4O2/c1-5-29(6-2)16-15-20-17-30(28-24(20)19-7-9-21(26)10-8-19)25(31)27-22-11-13-23(14-12-22)32-18(3)4/h7-14,18,20H,5-6,15-17H2,1-4H3,(H,27,31).

What are the key properties of 5-(4-chlorophenyl)-4-[2-(diethylamino)ethyl]-N-(4-propan-2-yloxyphenyl)-3,4-dihydropyrazole-2-carboxamide?

5-(4-chlorophenyl)-4-[2-(diethylamino)ethyl]-N-(4-propan-2-yloxyphenyl)-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 457.02 g/mol, XLogP of 5.73, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-chlorophenyl)-4-[2-(diethylamino)ethyl]-N-(4-propan-2-yloxyphenyl)-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 14278896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).