5-chloro-3-methyl-N-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide

C23H22ClN5O2 — CID 56502435

About 5-chloro-3-methyl-N-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide

5-chloro-3-methyl-N-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide (PubChem CID 56502435) has the molecular formula C23H22ClN5O2 and a molecular weight of 435.92 g/mol. Its IUPAC name is 5-chloro-3-methyl-N-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-3-methyl-N-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
• PubChem CID: 56502435
• Molecular Formula: C23H22ClN5O2
• Molecular Weight: 435.92 g/mol
• Exact Mass: 435.15
• IUPAC Name: 5-chloro-3-methyl-N-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
• SMILES: Cc1ccc(Cn2nc(C)c(C(=O)Nc3ccccc3-n3c(C)c[nH]c3=O)c2Cl)cc1
• InChI: InChI=1S/C23H22ClN5O2/c1-14-8-10-17(11-9-14)13-28-21(24)20(16(3)27-28)22(30)26-18-6-4-5-7-19(18)29-15(2)12-25-23(29)31/h4-12H,13H2,1-3H3,(H,25,31)(H,26,30)
• InChIKey: CGPMHPGNQMKMBS-UHFFFAOYSA-N
• XLogP: 4.24
• TPSA: 84.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.92
LogP ≤ 5	4.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-methyl-N-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide?

The IUPAC name of 5-chloro-3-methyl-N-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide (CID 56502435) is 5-chloro-3-methyl-N-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide.

What is the SMILES notation for 5-chloro-3-methyl-N-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide?

The canonical SMILES for 5-chloro-3-methyl-N-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide is Cc1ccc(Cn2nc(C)c(C(=O)Nc3ccccc3-n3c(C)c[nH]c3=O)c2Cl)cc1.

What is the InChIKey of 5-chloro-3-methyl-N-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide?

The InChIKey is CGPMHPGNQMKMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN5O2/c1-14-8-10-17(11-9-14)13-28-21(24)20(16(3)27-28)22(30)26-18-6-4-5-7-19(18)29-15(2)12-25-23(29)31/h4-12H,13H2,1-3H3,(H,25,31)(H,26,30).

What are the key properties of 5-chloro-3-methyl-N-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide?

5-chloro-3-methyl-N-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide has a molecular weight of 435.92 g/mol, XLogP of 4.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-3-methyl-N-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 56502435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).