1'-[4-(1H-pyrazol-4-yl)phenyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-2'-one

C21H19N3O — CID 145438955

IUPAC1'-[4-(1H-pyrazol-4-yl)phenyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-2'-one
SMILESO=C1N(c2ccc(-c3cn[nH]c3)cc2)CCC12Cc1ccccc1C2
InChIInChI=1S/C21H19N3O/c25-20-21(11-16-3-1-2-4-17(16)12-21)9-10-24(20)19-7-5-15(6-8-19)18-13-22-23-14-18/h1-8,13-14H,9-12H2,(H,22,23)
InChIKeyYWXBSRRUYFCTFK-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.60
Rot. Bonds2

About 1'-[4-(1H-pyrazol-4-yl)phenyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-2'-one

1'-[4-(1H-pyrazol-4-yl)phenyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-2'-one (PubChem CID 145438955) has the molecular formula C21H19N3O and a molecular weight of 329.40 g/mol. Its IUPAC name is 1'-[4-(1H-pyrazol-4-yl)phenyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-2'-one.

Molecular Properties

Compound Name1'-[4-(1H-pyrazol-4-yl)phenyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-2'-one
PubChem CID145438955
Molecular FormulaC21H19N3O
Molecular Weight329.40 g/mol
Exact Mass329.15
IUPAC Name1'-[4-(1H-pyrazol-4-yl)phenyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-2'-one
SMILESO=C1N(c2ccc(-c3cn[nH]c3)cc2)CCC12Cc1ccccc1C2
InChIInChI=1S/C21H19N3O/c25-20-21(11-16-3-1-2-4-17(16)12-21)9-10-24(20)19-7-5-15(6-8-19)18-13-22-23-14-18/h1-8,13-14H,9-12H2,(H,22,23)
InChIKeyYWXBSRRUYFCTFK-UHFFFAOYSA-N
XLogP3.60
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1'-[4-(1H-pyrazol-4-yl)phenyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-2'-one?
The IUPAC name of 1'-[4-(1H-pyrazol-4-yl)phenyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-2'-one (CID 145438955) is 1'-[4-(1H-pyrazol-4-yl)phenyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-2'-one.
What is the SMILES notation for 1'-[4-(1H-pyrazol-4-yl)phenyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-2'-one?
The canonical SMILES for 1'-[4-(1H-pyrazol-4-yl)phenyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-2'-one is O=C1N(c2ccc(-c3cn[nH]c3)cc2)CCC12Cc1ccccc1C2.
What is the InChIKey of 1'-[4-(1H-pyrazol-4-yl)phenyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-2'-one?
The InChIKey is YWXBSRRUYFCTFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O/c25-20-21(11-16-3-1-2-4-17(16)12-21)9-10-24(20)19-7-5-15(6-8-19)18-13-22-23-14-18/h1-8,13-14H,9-12H2,(H,22,23).
What are the key properties of 1'-[4-(1H-pyrazol-4-yl)phenyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-2'-one?
1'-[4-(1H-pyrazol-4-yl)phenyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-2'-one has a molecular weight of 329.40 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[4-(1H-pyrazol-4-yl)phenyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-2'-one is sourced from PubChem (CID 145438955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).