(1-methylimidazol-2-yl)-[1-[3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carbonyl]piperidin-3-yl]methanone

C19H22N6O2 — CID 70723597

About (1-methylimidazol-2-yl)-[1-[3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carbonyl]piperidin-3-yl]methanone

(1-methylimidazol-2-yl)-[1-[3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carbonyl]piperidin-3-yl]methanone (PubChem CID 70723597) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is (1-methylimidazol-2-yl)-[1-[3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carbonyl]piperidin-3-yl]methanone.

Molecular Properties

• Compound Name: (1-methylimidazol-2-yl)-[1-[3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carbonyl]piperidin-3-yl]methanone
• PubChem CID: 70723597
• Molecular Formula: C19H22N6O2
• Molecular Weight: 366.43 g/mol
• Exact Mass: 366.18
• IUPAC Name: (1-methylimidazol-2-yl)-[1-[3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carbonyl]piperidin-3-yl]methanone
• SMILES: Cn1cccc1-c1cc(C(=O)N2CCCC(C(=O)c3nccn3C)C2)[nH]n1
• InChI: InChI=1S/C19H22N6O2/c1-23-8-4-6-16(23)14-11-15(22-21-14)19(27)25-9-3-5-13(12-25)17(26)18-20-7-10-24(18)2/h4,6-8,10-11,13H,3,5,9,12H2,1-2H3,(H,21,22)
• InChIKey: WXDCUDDYUBWSRK-UHFFFAOYSA-N
• XLogP: 1.88
• TPSA: 88.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	366.43
LogP ≤ 5	1.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (1-methylimidazol-2-yl)-[1-[3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carbonyl]piperidin-3-yl]methanone?

The IUPAC name of (1-methylimidazol-2-yl)-[1-[3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carbonyl]piperidin-3-yl]methanone (CID 70723597) is (1-methylimidazol-2-yl)-[1-[3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carbonyl]piperidin-3-yl]methanone.

What is the SMILES notation for (1-methylimidazol-2-yl)-[1-[3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carbonyl]piperidin-3-yl]methanone?

The canonical SMILES for (1-methylimidazol-2-yl)-[1-[3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carbonyl]piperidin-3-yl]methanone is Cn1cccc1-c1cc(C(=O)N2CCCC(C(=O)c3nccn3C)C2)[nH]n1.

What is the InChIKey of (1-methylimidazol-2-yl)-[1-[3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carbonyl]piperidin-3-yl]methanone?

The InChIKey is WXDCUDDYUBWSRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-23-8-4-6-16(23)14-11-15(22-21-14)19(27)25-9-3-5-13(12-25)17(26)18-20-7-10-24(18)2/h4,6-8,10-11,13H,3,5,9,12H2,1-2H3,(H,21,22).

What are the key properties of (1-methylimidazol-2-yl)-[1-[3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carbonyl]piperidin-3-yl]methanone?

(1-methylimidazol-2-yl)-[1-[3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carbonyl]piperidin-3-yl]methanone has a molecular weight of 366.43 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (1-methylimidazol-2-yl)-[1-[3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carbonyl]piperidin-3-yl]methanone is sourced from PubChem (CID 70723597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).