3-(2,3-dihydroindol-1-yl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one

C21H20N4O — CID 122515875

IUPAC3-(2,3-dihydroindol-1-yl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one
SMILESO=C1C(N2CCc3ccccc32)CCN1c1ccc(-c2cn[nH]c2)cc1
InChIInChI=1S/C21H20N4O/c26-21-20(25-11-9-16-3-1-2-4-19(16)25)10-12-24(21)18-7-5-15(6-8-18)17-13-22-23-14-17/h1-8,13-14,20H,9-12H2,(H,22,23)
InChIKeyLNFOSSCRZCGXGE-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.24
Rot. Bonds3

About 3-(2,3-dihydroindol-1-yl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one

3-(2,3-dihydroindol-1-yl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one (PubChem CID 122515875) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is 3-(2,3-dihydroindol-1-yl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-(2,3-dihydroindol-1-yl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one
PubChem CID122515875
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC Name3-(2,3-dihydroindol-1-yl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one
SMILESO=C1C(N2CCc3ccccc32)CCN1c1ccc(-c2cn[nH]c2)cc1
InChIInChI=1S/C21H20N4O/c26-21-20(25-11-9-16-3-1-2-4-19(16)25)10-12-24(21)18-7-5-15(6-8-18)17-13-22-23-14-17/h1-8,13-14,20H,9-12H2,(H,22,23)
InChIKeyLNFOSSCRZCGXGE-UHFFFAOYSA-N
XLogP3.24
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroindol-1-yl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one?
The IUPAC name of 3-(2,3-dihydroindol-1-yl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one (CID 122515875) is 3-(2,3-dihydroindol-1-yl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 3-(2,3-dihydroindol-1-yl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 3-(2,3-dihydroindol-1-yl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one is O=C1C(N2CCc3ccccc32)CCN1c1ccc(-c2cn[nH]c2)cc1.
What is the InChIKey of 3-(2,3-dihydroindol-1-yl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one?
The InChIKey is LNFOSSCRZCGXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O/c26-21-20(25-11-9-16-3-1-2-4-19(16)25)10-12-24(21)18-7-5-15(6-8-18)17-13-22-23-14-17/h1-8,13-14,20H,9-12H2,(H,22,23).
What are the key properties of 3-(2,3-dihydroindol-1-yl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one?
3-(2,3-dihydroindol-1-yl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one has a molecular weight of 344.42 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroindol-1-yl)-1-[4-(1H-pyrazol-4-yl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 122515875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).