[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone

C20H25N5O2 — CID 97187963

About [5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone

[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone (PubChem CID 97187963) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is [5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: [5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone
• PubChem CID: 97187963
• Molecular Formula: C20H25N5O2
• Molecular Weight: 367.45 g/mol
• Exact Mass: 367.20
• IUPAC Name: [5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone
• SMILES: Cc1ccc(-c2cc(C(=O)N3CCC[C@H](c4nccn4C(C)C)C3)n[nH]2)o1
• InChI: InChI=1S/C20H25N5O2/c1-13(2)25-10-8-21-19(25)15-5-4-9-24(12-15)20(26)17-11-16(22-23-17)18-7-6-14(3)27-18/h6-8,10-11,13,15H,4-5,9,12H2,1-3H3,(H,22,23)/t15-/m0/s1
• InChIKey: QAZZHDOXYWFNAS-HNNXBMFYSA-N
• XLogP: 3.78
• TPSA: 79.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.45
LogP ≤ 5	3.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone?

The IUPAC name of [5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone (CID 97187963) is [5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone.

What is the SMILES notation for [5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone?

The canonical SMILES for [5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone is Cc1ccc(-c2cc(C(=O)N3CCC[C@H](c4nccn4C(C)C)C3)n[nH]2)o1.

What is the InChIKey of [5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone?

The InChIKey is QAZZHDOXYWFNAS-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-13(2)25-10-8-21-19(25)15-5-4-9-24(12-15)20(26)17-11-16(22-23-17)18-7-6-14(3)27-18/h6-8,10-11,13,15H,4-5,9,12H2,1-3H3,(H,22,23)/t15-/m0/s1.

What are the key properties of [5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone?

[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 367.45 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 97187963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).