3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]benzamide

C23H21Cl2N5O — CID 19285483

About 3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]benzamide

3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]benzamide (PubChem CID 19285483) has the molecular formula C23H21Cl2N5O and a molecular weight of 454.36 g/mol. Its IUPAC name is 3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]benzamide.

Molecular Properties

• Compound Name: 3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]benzamide
• PubChem CID: 19285483
• Molecular Formula: C23H21Cl2N5O
• Molecular Weight: 454.36 g/mol
• Exact Mass: 453.11
• IUPAC Name: 3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]benzamide
• SMILES: Cc1nn(Cc2cccc(C(=O)Nc3ccn(Cc4ccccc4Cl)n3)c2)c(C)c1Cl
• InChI: InChI=1S/C23H21Cl2N5O/c1-15-22(25)16(2)30(27-15)13-17-6-5-8-18(12-17)23(31)26-21-10-11-29(28-21)14-19-7-3-4-9-20(19)24/h3-12H,13-14H2,1-2H3,(H,26,28,31)
• InChIKey: LPBMTRQRDGYBGU-UHFFFAOYSA-N
• XLogP: 5.35
• TPSA: 64.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	454.36
LogP ≤ 5	5.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]benzamide?

The IUPAC name of 3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]benzamide (CID 19285483) is 3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]benzamide.

What is the SMILES notation for 3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]benzamide?

The canonical SMILES for 3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]benzamide is Cc1nn(Cc2cccc(C(=O)Nc3ccn(Cc4ccccc4Cl)n3)c2)c(C)c1Cl.

What is the InChIKey of 3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]benzamide?

The InChIKey is LPBMTRQRDGYBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Cl2N5O/c1-15-22(25)16(2)30(27-15)13-17-6-5-8-18(12-17)23(31)26-21-10-11-29(28-21)14-19-7-3-4-9-20(19)24/h3-12H,13-14H2,1-2H3,(H,26,28,31).

What are the key properties of 3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]benzamide?

3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]benzamide has a molecular weight of 454.36 g/mol, XLogP of 5.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]benzamide is sourced from PubChem (CID 19285483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).