(1-ethyl-2,5-dimethylpyrrol-3-yl)-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone

C19H28N4O2 — CID 75443653

About (1-ethyl-2,5-dimethylpyrrol-3-yl)-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone

(1-ethyl-2,5-dimethylpyrrol-3-yl)-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone (PubChem CID 75443653) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is (1-ethyl-2,5-dimethylpyrrol-3-yl)-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: (1-ethyl-2,5-dimethylpyrrol-3-yl)-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone
• PubChem CID: 75443653
• Molecular Formula: C19H28N4O2
• Molecular Weight: 344.46 g/mol
• Exact Mass: 344.22
• IUPAC Name: (1-ethyl-2,5-dimethylpyrrol-3-yl)-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone
• SMILES: CCn1c(C)cc(C(=O)N2CCC(c3ccnn3CCO)CC2)c1C
• InChI: InChI=1S/C19H28N4O2/c1-4-22-14(2)13-17(15(22)3)19(25)21-9-6-16(7-10-21)18-5-8-20-23(18)11-12-24/h5,8,13,16,24H,4,6-7,9-12H2,1-3H3
• InChIKey: DSRXJHLBOSPLTI-UHFFFAOYSA-N
• XLogP: 2.33
• TPSA: 63.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	344.46
LogP ≤ 5	2.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (1-ethyl-2,5-dimethylpyrrol-3-yl)-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone?

The IUPAC name of (1-ethyl-2,5-dimethylpyrrol-3-yl)-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone (CID 75443653) is (1-ethyl-2,5-dimethylpyrrol-3-yl)-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone.

What is the SMILES notation for (1-ethyl-2,5-dimethylpyrrol-3-yl)-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone?

The canonical SMILES for (1-ethyl-2,5-dimethylpyrrol-3-yl)-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone is CCn1c(C)cc(C(=O)N2CCC(c3ccnn3CCO)CC2)c1C.

What is the InChIKey of (1-ethyl-2,5-dimethylpyrrol-3-yl)-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone?

The InChIKey is DSRXJHLBOSPLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-4-22-14(2)13-17(15(22)3)19(25)21-9-6-16(7-10-21)18-5-8-20-23(18)11-12-24/h5,8,13,16,24H,4,6-7,9-12H2,1-3H3.

What are the key properties of (1-ethyl-2,5-dimethylpyrrol-3-yl)-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone?

(1-ethyl-2,5-dimethylpyrrol-3-yl)-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone has a molecular weight of 344.46 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (1-ethyl-2,5-dimethylpyrrol-3-yl)-[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 75443653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).