1-(3-hydroxypyrrolidin-1-yl)-2-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]ethanone

C23H23N7O2 — CID 72944763

About 1-(3-hydroxypyrrolidin-1-yl)-2-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]ethanone

1-(3-hydroxypyrrolidin-1-yl)-2-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]ethanone (PubChem CID 72944763) has the molecular formula C23H23N7O2 and a molecular weight of 429.48 g/mol. Its IUPAC name is 1-(3-hydroxypyrrolidin-1-yl)-2-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-(3-hydroxypyrrolidin-1-yl)-2-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]ethanone
• PubChem CID: 72944763
• Molecular Formula: C23H23N7O2
• Molecular Weight: 429.48 g/mol
• Exact Mass: 429.19
• IUPAC Name: 1-(3-hydroxypyrrolidin-1-yl)-2-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]ethanone
• SMILES: Cn1cc(-c2cccc(-c3ncc(-c4cnn(CC(=O)N5CCC(O)C5)c4)cn3)c2)cn1
• InChI: InChI=1S/C23H23N7O2/c1-28-12-19(10-26-28)16-3-2-4-17(7-16)23-24-8-18(9-25-23)20-11-27-30(13-20)15-22(32)29-6-5-21(31)14-29/h2-4,7-13,21,31H,5-6,14-15H2,1H3
• InChIKey: GLPXBNKFOAUCDS-UHFFFAOYSA-N
• XLogP: 2.00
• TPSA: 101.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.48
LogP ≤ 5	2.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypyrrolidin-1-yl)-2-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]ethanone?

The IUPAC name of 1-(3-hydroxypyrrolidin-1-yl)-2-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]ethanone (CID 72944763) is 1-(3-hydroxypyrrolidin-1-yl)-2-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]ethanone.

What is the SMILES notation for 1-(3-hydroxypyrrolidin-1-yl)-2-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]ethanone?

The canonical SMILES for 1-(3-hydroxypyrrolidin-1-yl)-2-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]ethanone is Cn1cc(-c2cccc(-c3ncc(-c4cnn(CC(=O)N5CCC(O)C5)c4)cn3)c2)cn1.

What is the InChIKey of 1-(3-hydroxypyrrolidin-1-yl)-2-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]ethanone?

The InChIKey is GLPXBNKFOAUCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O2/c1-28-12-19(10-26-28)16-3-2-4-17(7-16)23-24-8-18(9-25-23)20-11-27-30(13-20)15-22(32)29-6-5-21(31)14-29/h2-4,7-13,21,31H,5-6,14-15H2,1H3.

What are the key properties of 1-(3-hydroxypyrrolidin-1-yl)-2-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]ethanone?

1-(3-hydroxypyrrolidin-1-yl)-2-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]ethanone has a molecular weight of 429.48 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-hydroxypyrrolidin-1-yl)-2-[4-[2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-5-yl]pyrazol-1-yl]ethanone is sourced from PubChem (CID 72944763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).