4-[5-amino-3-(3-chlorophenyl)pyrazol-1-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide

C26H23ClN4O — CID 44763354

About 4-[5-amino-3-(3-chlorophenyl)pyrazol-1-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide

4-[5-amino-3-(3-chlorophenyl)pyrazol-1-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide (PubChem CID 44763354) has the molecular formula C26H23ClN4O and a molecular weight of 442.95 g/mol. Its IUPAC name is 4-[5-amino-3-(3-chlorophenyl)pyrazol-1-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide.

Molecular Properties

• Compound Name: 4-[5-amino-3-(3-chlorophenyl)pyrazol-1-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
• PubChem CID: 44763354
• Molecular Formula: C26H23ClN4O
• Molecular Weight: 442.95 g/mol
• Exact Mass: 442.16
• IUPAC Name: 4-[5-amino-3-(3-chlorophenyl)pyrazol-1-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
• SMILES: Nc1cc(-c2cccc(Cl)c2)nn1-c1ccc(C(=O)Nc2cccc3c2CCCC3)cc1
• InChI: InChI=1S/C26H23ClN4O/c27-20-8-3-7-19(15-20)24-16-25(28)31(30-24)21-13-11-18(12-14-21)26(32)29-23-10-4-6-17-5-1-2-9-22(17)23/h3-4,6-8,10-16H,1-2,5,9,28H2,(H,29,32)
• InChIKey: WTMSNDJAZDDAET-UHFFFAOYSA-N
• XLogP: 5.91
• TPSA: 72.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	442.95
LogP ≤ 5	5.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-[5-amino-3-(3-chlorophenyl)pyrazol-1-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide?

The IUPAC name of 4-[5-amino-3-(3-chlorophenyl)pyrazol-1-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide (CID 44763354) is 4-[5-amino-3-(3-chlorophenyl)pyrazol-1-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide.

What is the SMILES notation for 4-[5-amino-3-(3-chlorophenyl)pyrazol-1-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide?

The canonical SMILES for 4-[5-amino-3-(3-chlorophenyl)pyrazol-1-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide is Nc1cc(-c2cccc(Cl)c2)nn1-c1ccc(C(=O)Nc2cccc3c2CCCC3)cc1.

What is the InChIKey of 4-[5-amino-3-(3-chlorophenyl)pyrazol-1-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide?

The InChIKey is WTMSNDJAZDDAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN4O/c27-20-8-3-7-19(15-20)24-16-25(28)31(30-24)21-13-11-18(12-14-21)26(32)29-23-10-4-6-17-5-1-2-9-22(17)23/h3-4,6-8,10-16H,1-2,5,9,28H2,(H,29,32).

What are the key properties of 4-[5-amino-3-(3-chlorophenyl)pyrazol-1-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide?

4-[5-amino-3-(3-chlorophenyl)pyrazol-1-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide has a molecular weight of 442.95 g/mol, XLogP of 5.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-amino-3-(3-chlorophenyl)pyrazol-1-yl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide is sourced from PubChem (CID 44763354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).