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

C23H21Cl2N5O — CID 19398933

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

N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide (PubChem CID 19398933) has the molecular formula C23H21Cl2N5O and a molecular weight of 454.36 g/mol. Its IUPAC name is N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide.

Molecular Properties

• Compound Name: N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
• PubChem CID: 19398933
• Molecular Formula: C23H21Cl2N5O
• Molecular Weight: 454.36 g/mol
• Exact Mass: 453.11
• IUPAC Name: N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
• SMILES: Cc1cc(C)n(Cc2cccc(C(=O)Nc3ccn(Cc4ccc(Cl)c(Cl)c4)n3)c2)n1
• InChI: InChI=1S/C23H21Cl2N5O/c1-15-10-16(2)30(27-15)14-17-4-3-5-19(11-17)23(31)26-22-8-9-29(28-22)13-18-6-7-20(24)21(25)12-18/h3-12H,13-14H2,1-2H3,(H,26,28,31)
• InChIKey: XQTMJPJGPVWYOV-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 N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide?

The IUPAC name of N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide (CID 19398933) is N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide.

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

The canonical SMILES for N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide is Cc1cc(C)n(Cc2cccc(C(=O)Nc3ccn(Cc4ccc(Cl)c(Cl)c4)n3)c2)n1.

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

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

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

N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-[(3,5-dimethylpyrazol-1-yl)methyl]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 N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide is sourced from PubChem (CID 19398933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).