3-[2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-1,3-dihydroindol-2-one

C19H22N4O2 — CID 71932940

About 3-[2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-1,3-dihydroindol-2-one

3-[2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-1,3-dihydroindol-2-one (PubChem CID 71932940) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 3-[2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-1,3-dihydroindol-2-one.

Molecular Properties

• Compound Name: 3-[2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-1,3-dihydroindol-2-one
• PubChem CID: 71932940
• Molecular Formula: C19H22N4O2
• Molecular Weight: 338.41 g/mol
• Exact Mass: 338.17
• IUPAC Name: 3-[2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-1,3-dihydroindol-2-one
• SMILES: Cc1cnn(CC2CCCN2C(=O)CC2C(=O)Nc3ccccc32)c1
• InChI: InChI=1S/C19H22N4O2/c1-13-10-20-22(11-13)12-14-5-4-8-23(14)18(24)9-16-15-6-2-3-7-17(15)21-19(16)25/h2-3,6-7,10-11,14,16H,4-5,8-9,12H2,1H3,(H,21,25)
• InChIKey: KDTOHBXODMYHPR-UHFFFAOYSA-N
• XLogP: 2.31
• TPSA: 67.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	338.41
LogP ≤ 5	2.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-1,3-dihydroindol-2-one?

The IUPAC name of 3-[2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-1,3-dihydroindol-2-one (CID 71932940) is 3-[2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-1,3-dihydroindol-2-one.

What is the SMILES notation for 3-[2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-1,3-dihydroindol-2-one?

The canonical SMILES for 3-[2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-1,3-dihydroindol-2-one is Cc1cnn(CC2CCCN2C(=O)CC2C(=O)Nc3ccccc32)c1.

What is the InChIKey of 3-[2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-1,3-dihydroindol-2-one?

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

What are the key properties of 3-[2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-1,3-dihydroindol-2-one?

3-[2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-1,3-dihydroindol-2-one has a molecular weight of 338.41 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 71932940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).