3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-4-methyl-3,4-dihydropyrazole-5-carboxamide;hydrochloride

C23H26Cl4N4O2 — CID 69112097

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

3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-4-methyl-3,4-dihydropyrazole-5-carboxamide;hydrochloride (PubChem CID 69112097) has the molecular formula C23H26Cl4N4O2 and a molecular weight of 532.30 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-4-methyl-3,4-dihydropyrazole-5-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: 3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-4-methyl-3,4-dihydropyrazole-5-carboxamide;hydrochloride
• PubChem CID: 69112097
• Molecular Formula: C23H26Cl4N4O2
• Molecular Weight: 532.30 g/mol
• Exact Mass: 530.08
• IUPAC Name: 3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-4-methyl-3,4-dihydropyrazole-5-carboxamide;hydrochloride
• SMILES: COC[C@H]1CCCN1NC(=O)C1=NN(c2ccc(Cl)cc2Cl)C(c2ccc(Cl)cc2)C1C.Cl
• InChI: InChI=1S/C23H25Cl3N4O2.ClH/c1-14-21(23(31)28-29-11-3-4-18(29)13-32-2)27-30(20-10-9-17(25)12-19(20)26)22(14)15-5-7-16(24)8-6-15;/h5-10,12,14,18,22H,3-4,11,13H2,1-2H3,(H,28,31);1H/t14?,18-,22?;/m1./s1
• InChIKey: RESILYSWHBVNSL-RTKIXMTESA-N
• XLogP: 5.76
• TPSA: 57.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	532.30
LogP ≤ 5	5.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-4-methyl-3,4-dihydropyrazole-5-carboxamide;hydrochloride (CID 69112097) is 3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-4-methyl-3,4-dihydropyrazole-5-carboxamide;hydrochloride.

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

The canonical SMILES for 3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-4-methyl-3,4-dihydropyrazole-5-carboxamide;hydrochloride is COC[C@H]1CCCN1NC(=O)C1=NN(c2ccc(Cl)cc2Cl)C(c2ccc(Cl)cc2)C1C.Cl.

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

The InChIKey is RESILYSWHBVNSL-RTKIXMTESA-N. The full InChI is InChI=1S/C23H25Cl3N4O2.ClH/c1-14-21(23(31)28-29-11-3-4-18(29)13-32-2)27-30(20-10-9-17(25)12-19(20)26)22(14)15-5-7-16(24)8-6-15;/h5-10,12,14,18,22H,3-4,11,13H2,1-2H3,(H,28,31);1H/t14?,18-,22?;/m1./s1.

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

3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-4-methyl-3,4-dihydropyrazole-5-carboxamide;hydrochloride has a molecular weight of 532.30 g/mol, XLogP of 5.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-4-methyl-3,4-dihydropyrazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 69112097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).