1-[2-[(3R)-1-(5-methyl-1H-pyrazole-3-carbonyl)-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one

C19H22N4O2 — CID 96570582

About 1-[2-[(3R)-1-(5-methyl-1H-pyrazole-3-carbonyl)-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one

1-[2-[(3R)-1-(5-methyl-1H-pyrazole-3-carbonyl)-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one (PubChem CID 96570582) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-[2-[(3R)-1-(5-methyl-1H-pyrazole-3-carbonyl)-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: 1-[2-[(3R)-1-(5-methyl-1H-pyrazole-3-carbonyl)-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one
• PubChem CID: 96570582
• Molecular Formula: C19H22N4O2
• Molecular Weight: 338.41 g/mol
• Exact Mass: 338.17
• IUPAC Name: 1-[2-[(3R)-1-(5-methyl-1H-pyrazole-3-carbonyl)-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one
• SMILES: Cc1cc(C(=O)N2C[C@H](CCN3CCCC3=O)c3ccccc32)n[nH]1
• InChI: InChI=1S/C19H22N4O2/c1-13-11-16(21-20-13)19(25)23-12-14(15-5-2-3-6-17(15)23)8-10-22-9-4-7-18(22)24/h2-3,5-6,11,14H,4,7-10,12H2,1H3,(H,20,21)/t14-/m0/s1
• InChIKey: ZDEJKJKMPDSQFG-AWEZNQCLSA-N
• XLogP: 2.47
• TPSA: 69.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	338.41
LogP ≤ 5	2.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3R)-1-(5-methyl-1H-pyrazole-3-carbonyl)-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one?

The IUPAC name of 1-[2-[(3R)-1-(5-methyl-1H-pyrazole-3-carbonyl)-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one (CID 96570582) is 1-[2-[(3R)-1-(5-methyl-1H-pyrazole-3-carbonyl)-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one.

What is the SMILES notation for 1-[2-[(3R)-1-(5-methyl-1H-pyrazole-3-carbonyl)-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one?

The canonical SMILES for 1-[2-[(3R)-1-(5-methyl-1H-pyrazole-3-carbonyl)-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one is Cc1cc(C(=O)N2C[C@H](CCN3CCCC3=O)c3ccccc32)n[nH]1.

What is the InChIKey of 1-[2-[(3R)-1-(5-methyl-1H-pyrazole-3-carbonyl)-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one?

The InChIKey is ZDEJKJKMPDSQFG-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-13-11-16(21-20-13)19(25)23-12-14(15-5-2-3-6-17(15)23)8-10-22-9-4-7-18(22)24/h2-3,5-6,11,14H,4,7-10,12H2,1H3,(H,20,21)/t14-/m0/s1.

What are the key properties of 1-[2-[(3R)-1-(5-methyl-1H-pyrazole-3-carbonyl)-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one?

1-[2-[(3R)-1-(5-methyl-1H-pyrazole-3-carbonyl)-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one has a molecular weight of 338.41 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[(3R)-1-(5-methyl-1H-pyrazole-3-carbonyl)-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 96570582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).