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

C29H26ClN5O — CID 19290273

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

3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(1,3-diphenylpyrazol-4-yl)methyl]benzamide (PubChem CID 19290273) has the molecular formula C29H26ClN5O and a molecular weight of 496.01 g/mol. Its IUPAC name is 3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(1,3-diphenylpyrazol-4-yl)methyl]benzamide.

Molecular Properties

• Compound Name: 3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(1,3-diphenylpyrazol-4-yl)methyl]benzamide
• PubChem CID: 19290273
• Molecular Formula: C29H26ClN5O
• Molecular Weight: 496.01 g/mol
• Exact Mass: 495.18
• IUPAC Name: 3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(1,3-diphenylpyrazol-4-yl)methyl]benzamide
• SMILES: Cc1nn(Cc2cccc(C(=O)NCc3cn(-c4ccccc4)nc3-c3ccccc3)c2)c(C)c1Cl
• InChI: InChI=1S/C29H26ClN5O/c1-20-27(30)21(2)34(32-20)18-22-10-9-13-24(16-22)29(36)31-17-25-19-35(26-14-7-4-8-15-26)33-28(25)23-11-5-3-6-12-23/h3-16,19H,17-18H2,1-2H3,(H,31,36)
• InChIKey: SUYZVIRZZWZXEQ-UHFFFAOYSA-N
• XLogP: 5.98
• TPSA: 64.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	496.01
LogP ≤ 5	5.98
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-[(1,3-diphenylpyrazol-4-yl)methyl]benzamide?

The IUPAC name of 3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(1,3-diphenylpyrazol-4-yl)methyl]benzamide (CID 19290273) is 3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(1,3-diphenylpyrazol-4-yl)methyl]benzamide.

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

The canonical SMILES for 3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(1,3-diphenylpyrazol-4-yl)methyl]benzamide is Cc1nn(Cc2cccc(C(=O)NCc3cn(-c4ccccc4)nc3-c3ccccc3)c2)c(C)c1Cl.

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

The InChIKey is SUYZVIRZZWZXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26ClN5O/c1-20-27(30)21(2)34(32-20)18-22-10-9-13-24(16-22)29(36)31-17-25-19-35(26-14-7-4-8-15-26)33-28(25)23-11-5-3-6-12-23/h3-16,19H,17-18H2,1-2H3,(H,31,36).

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

3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(1,3-diphenylpyrazol-4-yl)methyl]benzamide has a molecular weight of 496.01 g/mol, XLogP of 5.98, 7 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-[(1,3-diphenylpyrazol-4-yl)methyl]benzamide is sourced from PubChem (CID 19290273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).