(3R,4R)-N-(azocan-1-yl)-3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-4-methyl-3,4-dihydropyrazole-5-carboxamide;hydrochloride

C24H28Cl4N4O — CID 158469376

About (3R,4R)-N-(azocan-1-yl)-3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-4-methyl-3,4-dihydropyrazole-5-carboxamide;hydrochloride

(3R,4R)-N-(azocan-1-yl)-3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-4-methyl-3,4-dihydropyrazole-5-carboxamide;hydrochloride (PubChem CID 158469376) has the molecular formula C24H28Cl4N4O and a molecular weight of 530.33 g/mol. Its IUPAC name is (3R,4R)-N-(azocan-1-yl)-3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-4-methyl-3,4-dihydropyrazole-5-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: (3R,4R)-N-(azocan-1-yl)-3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-4-methyl-3,4-dihydropyrazole-5-carboxamide;hydrochloride
• PubChem CID: 158469376
• Molecular Formula: C24H28Cl4N4O
• Molecular Weight: 530.33 g/mol
• Exact Mass: 528.10
• IUPAC Name: (3R,4R)-N-(azocan-1-yl)-3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-4-methyl-3,4-dihydropyrazole-5-carboxamide;hydrochloride
• SMILES: C[C@H]1C(C(=O)NN2CCCCCCC2)=NN(c2ccc(Cl)cc2Cl)[C@H]1c1ccc(Cl)cc1.Cl
• InChI: InChI=1S/C24H27Cl3N4O.ClH/c1-16-22(24(32)29-30-13-5-3-2-4-6-14-30)28-31(21-12-11-19(26)15-20(21)27)23(16)17-7-9-18(25)10-8-17;/h7-12,15-16,23H,2-6,13-14H2,1H3,(H,29,32);1H/t16-,23+;/m0./s1
• InChIKey: PLZIZNLIAHSHGK-VPRXFHPJSA-N
• XLogP: 6.92
• TPSA: 47.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	530.33
LogP ≤ 5	6.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-N-(azocan-1-yl)-3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-4-methyl-3,4-dihydropyrazole-5-carboxamide;hydrochloride?

The IUPAC name of (3R,4R)-N-(azocan-1-yl)-3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-4-methyl-3,4-dihydropyrazole-5-carboxamide;hydrochloride (CID 158469376) is (3R,4R)-N-(azocan-1-yl)-3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-4-methyl-3,4-dihydropyrazole-5-carboxamide;hydrochloride.

What is the SMILES notation for (3R,4R)-N-(azocan-1-yl)-3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-4-methyl-3,4-dihydropyrazole-5-carboxamide;hydrochloride?

The canonical SMILES for (3R,4R)-N-(azocan-1-yl)-3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-4-methyl-3,4-dihydropyrazole-5-carboxamide;hydrochloride is C[C@H]1C(C(=O)NN2CCCCCCC2)=NN(c2ccc(Cl)cc2Cl)[C@H]1c1ccc(Cl)cc1.Cl.

What is the InChIKey of (3R,4R)-N-(azocan-1-yl)-3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-4-methyl-3,4-dihydropyrazole-5-carboxamide;hydrochloride?

The InChIKey is PLZIZNLIAHSHGK-VPRXFHPJSA-N. The full InChI is InChI=1S/C24H27Cl3N4O.ClH/c1-16-22(24(32)29-30-13-5-3-2-4-6-14-30)28-31(21-12-11-19(26)15-20(21)27)23(16)17-7-9-18(25)10-8-17;/h7-12,15-16,23H,2-6,13-14H2,1H3,(H,29,32);1H/t16-,23+;/m0./s1.

What are the key properties of (3R,4R)-N-(azocan-1-yl)-3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-4-methyl-3,4-dihydropyrazole-5-carboxamide;hydrochloride?

(3R,4R)-N-(azocan-1-yl)-3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-4-methyl-3,4-dihydropyrazole-5-carboxamide;hydrochloride has a molecular weight of 530.33 g/mol, XLogP of 6.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,4R)-N-(azocan-1-yl)-3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-4-methyl-3,4-dihydropyrazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 158469376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).