(3-ethyl-1-methylpyrazol-4-yl)-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone

C20H27N5O2 — CID 129329829

About (3-ethyl-1-methylpyrazol-4-yl)-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone

(3-ethyl-1-methylpyrazol-4-yl)-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone (PubChem CID 129329829) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is (3-ethyl-1-methylpyrazol-4-yl)-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone.

Molecular Properties

• Compound Name: (3-ethyl-1-methylpyrazol-4-yl)-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone
• PubChem CID: 129329829
• Molecular Formula: C20H27N5O2
• Molecular Weight: 369.47 g/mol
• Exact Mass: 369.22
• IUPAC Name: (3-ethyl-1-methylpyrazol-4-yl)-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone
• SMILES: CCc1nn(C)cc1C(=O)N1CC[C@H](Oc2cccnc2N2CCCC2)C1
• InChI: InChI=1S/C20H27N5O2/c1-3-17-16(14-23(2)22-17)20(26)25-12-8-15(13-25)27-18-7-6-9-21-19(18)24-10-4-5-11-24/h6-7,9,14-15H,3-5,8,10-13H2,1-2H3/t15-/m0/s1
• InChIKey: GTXIWCHXVXQAQW-HNNXBMFYSA-N
• XLogP: 2.27
• TPSA: 63.49 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.47
LogP ≤ 5	2.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-1-methylpyrazol-4-yl)-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone?

The IUPAC name of (3-ethyl-1-methylpyrazol-4-yl)-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone (CID 129329829) is (3-ethyl-1-methylpyrazol-4-yl)-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone.

What is the SMILES notation for (3-ethyl-1-methylpyrazol-4-yl)-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone?

The canonical SMILES for (3-ethyl-1-methylpyrazol-4-yl)-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone is CCc1nn(C)cc1C(=O)N1CC[C@H](Oc2cccnc2N2CCCC2)C1.

What is the InChIKey of (3-ethyl-1-methylpyrazol-4-yl)-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone?

The InChIKey is GTXIWCHXVXQAQW-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-3-17-16(14-23(2)22-17)20(26)25-12-8-15(13-25)27-18-7-6-9-21-19(18)24-10-4-5-11-24/h6-7,9,14-15H,3-5,8,10-13H2,1-2H3/t15-/m0/s1.

What are the key properties of (3-ethyl-1-methylpyrazol-4-yl)-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone?

(3-ethyl-1-methylpyrazol-4-yl)-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone has a molecular weight of 369.47 g/mol, XLogP of 2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3-ethyl-1-methylpyrazol-4-yl)-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 129329829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).