[1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone

C25H31ClN6O — CID 43058846

About [1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone

[1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone (PubChem CID 43058846) has the molecular formula C25H31ClN6O and a molecular weight of 467.02 g/mol. Its IUPAC name is [1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: [1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone
• PubChem CID: 43058846
• Molecular Formula: C25H31ClN6O
• Molecular Weight: 467.02 g/mol
• Exact Mass: 466.22
• IUPAC Name: [1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone
• SMILES: Cc1cc(N2CCN(C(=O)c3cnn(-c4cccc(Cl)c4)c3C(C)C)CC2)nc(C(C)C)n1
• InChI: InChI=1S/C25H31ClN6O/c1-16(2)23-21(15-27-32(23)20-8-6-7-19(26)14-20)25(33)31-11-9-30(10-12-31)22-13-18(5)28-24(29-22)17(3)4/h6-8,13-17H,9-12H2,1-5H3
• InChIKey: DLPCZODLKAPCNC-UHFFFAOYSA-N
• XLogP: 4.83
• TPSA: 67.15 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.02
LogP ≤ 5	4.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone?

The IUPAC name of [1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone (CID 43058846) is [1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone.

What is the SMILES notation for [1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone?

The canonical SMILES for [1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone is Cc1cc(N2CCN(C(=O)c3cnn(-c4cccc(Cl)c4)c3C(C)C)CC2)nc(C(C)C)n1.

What is the InChIKey of [1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone?

The InChIKey is DLPCZODLKAPCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31ClN6O/c1-16(2)23-21(15-27-32(23)20-8-6-7-19(26)14-20)25(33)31-11-9-30(10-12-31)22-13-18(5)28-24(29-22)17(3)4/h6-8,13-17H,9-12H2,1-5H3.

What are the key properties of [1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone?

[1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone has a molecular weight of 467.02 g/mol, XLogP of 4.83, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 43058846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).