[(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-(5-ethyl-1H-pyrazol-3-yl)methanone

C17H23N5O2 — CID 129474789

About [(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-(5-ethyl-1H-pyrazol-3-yl)methanone

[(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-(5-ethyl-1H-pyrazol-3-yl)methanone (PubChem CID 129474789) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is [(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-(5-ethyl-1H-pyrazol-3-yl)methanone.

Molecular Properties

• Compound Name: [(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-(5-ethyl-1H-pyrazol-3-yl)methanone
• PubChem CID: 129474789
• Molecular Formula: C17H23N5O2
• Molecular Weight: 329.40 g/mol
• Exact Mass: 329.19
• IUPAC Name: [(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-(5-ethyl-1H-pyrazol-3-yl)methanone
• SMILES: CCc1cc(C(=O)N2CC[C@@H](Oc3cccnc3N(C)C)C2)n[nH]1
• InChI: InChI=1S/C17H23N5O2/c1-4-12-10-14(20-19-12)17(23)22-9-7-13(11-22)24-15-6-5-8-18-16(15)21(2)3/h5-6,8,10,13H,4,7,9,11H2,1-3H3,(H,19,20)/t13-/m1/s1
• InChIKey: IYBZBSVJBISQKS-CYBMUJFWSA-N
• XLogP: 1.73
• TPSA: 74.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	329.40
LogP ≤ 5	1.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-(5-ethyl-1H-pyrazol-3-yl)methanone?

The IUPAC name of [(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-(5-ethyl-1H-pyrazol-3-yl)methanone (CID 129474789) is [(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-(5-ethyl-1H-pyrazol-3-yl)methanone.

What is the SMILES notation for [(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-(5-ethyl-1H-pyrazol-3-yl)methanone?

The canonical SMILES for [(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-(5-ethyl-1H-pyrazol-3-yl)methanone is CCc1cc(C(=O)N2CC[C@@H](Oc3cccnc3N(C)C)C2)n[nH]1.

What is the InChIKey of [(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-(5-ethyl-1H-pyrazol-3-yl)methanone?

The InChIKey is IYBZBSVJBISQKS-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-4-12-10-14(20-19-12)17(23)22-9-7-13(11-22)24-15-6-5-8-18-16(15)21(2)3/h5-6,8,10,13H,4,7,9,11H2,1-3H3,(H,19,20)/t13-/m1/s1.

What are the key properties of [(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-(5-ethyl-1H-pyrazol-3-yl)methanone?

[(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-(5-ethyl-1H-pyrazol-3-yl)methanone has a molecular weight of 329.40 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-(5-ethyl-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 129474789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).