[1,3-bis(4-methoxyphenyl)pyrazol-5-yl]-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone

C31H32N4O3 — CID 4023539

About [1,3-bis(4-methoxyphenyl)pyrazol-5-yl]-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone

[1,3-bis(4-methoxyphenyl)pyrazol-5-yl]-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone (PubChem CID 4023539) has the molecular formula C31H32N4O3 and a molecular weight of 508.62 g/mol. Its IUPAC name is [1,3-bis(4-methoxyphenyl)pyrazol-5-yl]-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: [1,3-bis(4-methoxyphenyl)pyrazol-5-yl]-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
• PubChem CID: 4023539
• Molecular Formula: C31H32N4O3
• Molecular Weight: 508.62 g/mol
• Exact Mass: 508.25
• IUPAC Name: [1,3-bis(4-methoxyphenyl)pyrazol-5-yl]-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
• SMILES: COc1ccc(-c2cc(C(=O)N3CCN(CC=Cc4ccccc4)CC3)n(-c3ccc(OC)cc3)n2)cc1
• InChI: InChI=1S/C31H32N4O3/c1-37-27-14-10-25(11-15-27)29-23-30(35(32-29)26-12-16-28(38-2)17-13-26)31(36)34-21-19-33(20-22-34)18-6-9-24-7-4-3-5-8-24/h3-17,23H,18-22H2,1-2H3
• InChIKey: YDDVOASMFGVTIR-UHFFFAOYSA-N
• XLogP: 5.03
• TPSA: 59.83 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	508.62
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [1,3-bis(4-methoxyphenyl)pyrazol-5-yl]-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone?

The IUPAC name of [1,3-bis(4-methoxyphenyl)pyrazol-5-yl]-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone (CID 4023539) is [1,3-bis(4-methoxyphenyl)pyrazol-5-yl]-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone.

What is the SMILES notation for [1,3-bis(4-methoxyphenyl)pyrazol-5-yl]-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone?

The canonical SMILES for [1,3-bis(4-methoxyphenyl)pyrazol-5-yl]-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone is COc1ccc(-c2cc(C(=O)N3CCN(CC=Cc4ccccc4)CC3)n(-c3ccc(OC)cc3)n2)cc1.

What is the InChIKey of [1,3-bis(4-methoxyphenyl)pyrazol-5-yl]-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone?

The InChIKey is YDDVOASMFGVTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N4O3/c1-37-27-14-10-25(11-15-27)29-23-30(35(32-29)26-12-16-28(38-2)17-13-26)31(36)34-21-19-33(20-22-34)18-6-9-24-7-4-3-5-8-24/h3-17,23H,18-22H2,1-2H3.

What are the key properties of [1,3-bis(4-methoxyphenyl)pyrazol-5-yl]-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone?

[1,3-bis(4-methoxyphenyl)pyrazol-5-yl]-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone has a molecular weight of 508.62 g/mol, XLogP of 5.03, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [1,3-bis(4-methoxyphenyl)pyrazol-5-yl]-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone is sourced from PubChem (CID 4023539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).