(1,3-dimethylpyrazol-4-yl)-[(3R)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone

C19H25N5O2 — CID 129473052

About (1,3-dimethylpyrazol-4-yl)-[(3R)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone

(1,3-dimethylpyrazol-4-yl)-[(3R)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone (PubChem CID 129473052) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is (1,3-dimethylpyrazol-4-yl)-[(3R)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone.

Molecular Properties

• Compound Name: (1,3-dimethylpyrazol-4-yl)-[(3R)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone
• PubChem CID: 129473052
• Molecular Formula: C19H25N5O2
• Molecular Weight: 355.44 g/mol
• Exact Mass: 355.20
• IUPAC Name: (1,3-dimethylpyrazol-4-yl)-[(3R)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone
• SMILES: Cc1nn(C)cc1C(=O)N1CC[C@@H](Oc2cccnc2N2CCCC2)C1
• InChI: InChI=1S/C19H25N5O2/c1-14-16(13-22(2)21-14)19(25)24-11-7-15(12-24)26-17-6-5-8-20-18(17)23-9-3-4-10-23/h5-6,8,13,15H,3-4,7,9-12H2,1-2H3/t15-/m1/s1
• InChIKey: BBDLHUJLFUYWEJ-OAHLLOKOSA-N
• XLogP: 2.02
• TPSA: 63.49 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	355.44
LogP ≤ 5	2.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (1,3-dimethylpyrazol-4-yl)-[(3R)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone?

The IUPAC name of (1,3-dimethylpyrazol-4-yl)-[(3R)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone (CID 129473052) is (1,3-dimethylpyrazol-4-yl)-[(3R)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone.

What is the SMILES notation for (1,3-dimethylpyrazol-4-yl)-[(3R)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone?

The canonical SMILES for (1,3-dimethylpyrazol-4-yl)-[(3R)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone is Cc1nn(C)cc1C(=O)N1CC[C@@H](Oc2cccnc2N2CCCC2)C1.

What is the InChIKey of (1,3-dimethylpyrazol-4-yl)-[(3R)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone?

The InChIKey is BBDLHUJLFUYWEJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-14-16(13-22(2)21-14)19(25)24-11-7-15(12-24)26-17-6-5-8-20-18(17)23-9-3-4-10-23/h5-6,8,13,15H,3-4,7,9-12H2,1-2H3/t15-/m1/s1.

What are the key properties of (1,3-dimethylpyrazol-4-yl)-[(3R)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone?

(1,3-dimethylpyrazol-4-yl)-[(3R)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone has a molecular weight of 355.44 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (1,3-dimethylpyrazol-4-yl)-[(3R)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 129473052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).