N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(2,4-dichlorophenyl)-3-(4-hydroxyphenyl)-4-methyl-3,4-dihydropyrazole-5-carboxamide;hydrochloride

C24H27Cl3N4O2 — CID 68769039

About N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(2,4-dichlorophenyl)-3-(4-hydroxyphenyl)-4-methyl-3,4-dihydropyrazole-5-carboxamide;hydrochloride

N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(2,4-dichlorophenyl)-3-(4-hydroxyphenyl)-4-methyl-3,4-dihydropyrazole-5-carboxamide;hydrochloride (PubChem CID 68769039) has the molecular formula C24H27Cl3N4O2 and a molecular weight of 509.87 g/mol. Its IUPAC name is N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(2,4-dichlorophenyl)-3-(4-hydroxyphenyl)-4-methyl-3,4-dihydropyrazole-5-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(2,4-dichlorophenyl)-3-(4-hydroxyphenyl)-4-methyl-3,4-dihydropyrazole-5-carboxamide;hydrochloride
• PubChem CID: 68769039
• Molecular Formula: C24H27Cl3N4O2
• Molecular Weight: 509.87 g/mol
• Exact Mass: 508.12
• IUPAC Name: N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(2,4-dichlorophenyl)-3-(4-hydroxyphenyl)-4-methyl-3,4-dihydropyrazole-5-carboxamide;hydrochloride
• SMILES: CC1C(C(=O)NN2CC3CCCC3C2)=NN(c2ccc(Cl)cc2Cl)C1c1ccc(O)cc1.Cl
• InChI: InChI=1S/C24H26Cl2N4O2.ClH/c1-14-22(24(32)28-29-12-16-3-2-4-17(16)13-29)27-30(21-10-7-18(25)11-20(21)26)23(14)15-5-8-19(31)9-6-15;/h5-11,14,16-17,23,31H,2-4,12-13H2,1H3,(H,28,32);1H
• InChIKey: POOGTTZLRAJRBQ-UHFFFAOYSA-N
• XLogP: 5.44
• TPSA: 68.17 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	509.87
LogP ≤ 5	5.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(2,4-dichlorophenyl)-3-(4-hydroxyphenyl)-4-methyl-3,4-dihydropyrazole-5-carboxamide;hydrochloride?

The IUPAC name of N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(2,4-dichlorophenyl)-3-(4-hydroxyphenyl)-4-methyl-3,4-dihydropyrazole-5-carboxamide;hydrochloride (CID 68769039) is N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(2,4-dichlorophenyl)-3-(4-hydroxyphenyl)-4-methyl-3,4-dihydropyrazole-5-carboxamide;hydrochloride.

What is the SMILES notation for N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(2,4-dichlorophenyl)-3-(4-hydroxyphenyl)-4-methyl-3,4-dihydropyrazole-5-carboxamide;hydrochloride?

The canonical SMILES for N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(2,4-dichlorophenyl)-3-(4-hydroxyphenyl)-4-methyl-3,4-dihydropyrazole-5-carboxamide;hydrochloride is CC1C(C(=O)NN2CC3CCCC3C2)=NN(c2ccc(Cl)cc2Cl)C1c1ccc(O)cc1.Cl.

What is the InChIKey of N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(2,4-dichlorophenyl)-3-(4-hydroxyphenyl)-4-methyl-3,4-dihydropyrazole-5-carboxamide;hydrochloride?

The InChIKey is POOGTTZLRAJRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26Cl2N4O2.ClH/c1-14-22(24(32)28-29-12-16-3-2-4-17(16)13-29)27-30(21-10-7-18(25)11-20(21)26)23(14)15-5-8-19(31)9-6-15;/h5-11,14,16-17,23,31H,2-4,12-13H2,1H3,(H,28,32);1H.

What are the key properties of N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(2,4-dichlorophenyl)-3-(4-hydroxyphenyl)-4-methyl-3,4-dihydropyrazole-5-carboxamide;hydrochloride?

N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(2,4-dichlorophenyl)-3-(4-hydroxyphenyl)-4-methyl-3,4-dihydropyrazole-5-carboxamide;hydrochloride has a molecular weight of 509.87 g/mol, XLogP of 5.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(2,4-dichlorophenyl)-3-(4-hydroxyphenyl)-4-methyl-3,4-dihydropyrazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 68769039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).