4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-[1-(3,5-dichlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide

C22H17Cl3N4O2 — CID 135523952

About 4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-[1-(3,5-dichlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide

4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-[1-(3,5-dichlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide (PubChem CID 135523952) has the molecular formula C22H17Cl3N4O2 and a molecular weight of 475.76 g/mol. Its IUPAC name is 4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-[1-(3,5-dichlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

• Compound Name: 4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-[1-(3,5-dichlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide
• PubChem CID: 135523952
• Molecular Formula: C22H17Cl3N4O2
• Molecular Weight: 475.76 g/mol
• Exact Mass: 474.04
• IUPAC Name: 4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-[1-(3,5-dichlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide
• SMILES: O=C(NC(CO)c1cc(Cl)cc(Cl)c1)c1cc(-c2[nH]ncc2-c2cccc(Cl)c2)c[nH]1
• InChI: InChI=1S/C22H17Cl3N4O2/c23-15-3-1-2-12(4-15)18-10-27-29-21(18)14-7-19(26-9-14)22(31)28-20(11-30)13-5-16(24)8-17(25)6-13/h1-10,20,26,30H,11H2,(H,27,29)(H,28,31)
• InChIKey: HJTVLIXBOOZJMZ-UHFFFAOYSA-N
• XLogP: 5.50
• TPSA: 93.80 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	475.76
LogP ≤ 5	5.50
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-[1-(3,5-dichlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide?

The IUPAC name of 4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-[1-(3,5-dichlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide (CID 135523952) is 4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-[1-(3,5-dichlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide.

What is the SMILES notation for 4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-[1-(3,5-dichlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide?

The canonical SMILES for 4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-[1-(3,5-dichlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide is O=C(NC(CO)c1cc(Cl)cc(Cl)c1)c1cc(-c2[nH]ncc2-c2cccc(Cl)c2)c[nH]1.

What is the InChIKey of 4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-[1-(3,5-dichlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide?

The InChIKey is HJTVLIXBOOZJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl3N4O2/c23-15-3-1-2-12(4-15)18-10-27-29-21(18)14-7-19(26-9-14)22(31)28-20(11-30)13-5-16(24)8-17(25)6-13/h1-10,20,26,30H,11H2,(H,27,29)(H,28,31).

What are the key properties of 4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-[1-(3,5-dichlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide?

4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-[1-(3,5-dichlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide has a molecular weight of 475.76 g/mol, XLogP of 5.50, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-[1-(3,5-dichlorophenyl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 135523952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).