1-(2,3-dihydro-1H-inden-2-yl)-4-[(1,5-dimethylpyrazol-4-yl)methylamino]pyrrolidin-2-one

C19H24N4O — CID 45223736

IUPAC1-(2,3-dihydro-1H-inden-2-yl)-4-[(1,5-dimethylpyrazol-4-yl)methylamino]pyrrolidin-2-one
SMILESCc1c(CNC2CC(=O)N(C3Cc4ccccc4C3)C2)cnn1C
InChIInChI=1S/C19H24N4O/c1-13-16(11-21-22(13)2)10-20-17-9-19(24)23(12-17)18-7-14-5-3-4-6-15(14)8-18/h3-6,11,17-18,20H,7-10,12H2,1-2H3
InChIKeyRAGRECAELHWKBX-UHFFFAOYSA-N
MW324.43 g/mol
LogP1.59
Rot. Bonds4

About 1-(2,3-dihydro-1H-inden-2-yl)-4-[(1,5-dimethylpyrazol-4-yl)methylamino]pyrrolidin-2-one

1-(2,3-dihydro-1H-inden-2-yl)-4-[(1,5-dimethylpyrazol-4-yl)methylamino]pyrrolidin-2-one (PubChem CID 45223736) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-2-yl)-4-[(1,5-dimethylpyrazol-4-yl)methylamino]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-2-yl)-4-[(1,5-dimethylpyrazol-4-yl)methylamino]pyrrolidin-2-one
PubChem CID45223736
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name1-(2,3-dihydro-1H-inden-2-yl)-4-[(1,5-dimethylpyrazol-4-yl)methylamino]pyrrolidin-2-one
SMILESCc1c(CNC2CC(=O)N(C3Cc4ccccc4C3)C2)cnn1C
InChIInChI=1S/C19H24N4O/c1-13-16(11-21-22(13)2)10-20-17-9-19(24)23(12-17)18-7-14-5-3-4-6-15(14)8-18/h3-6,11,17-18,20H,7-10,12H2,1-2H3
InChIKeyRAGRECAELHWKBX-UHFFFAOYSA-N
XLogP1.59
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-4-[(1,5-dimethylpyrazol-4-yl)methylamino]pyrrolidin-2-one?
The IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-4-[(1,5-dimethylpyrazol-4-yl)methylamino]pyrrolidin-2-one (CID 45223736) is 1-(2,3-dihydro-1H-inden-2-yl)-4-[(1,5-dimethylpyrazol-4-yl)methylamino]pyrrolidin-2-one.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-2-yl)-4-[(1,5-dimethylpyrazol-4-yl)methylamino]pyrrolidin-2-one?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-2-yl)-4-[(1,5-dimethylpyrazol-4-yl)methylamino]pyrrolidin-2-one is Cc1c(CNC2CC(=O)N(C3Cc4ccccc4C3)C2)cnn1C.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-2-yl)-4-[(1,5-dimethylpyrazol-4-yl)methylamino]pyrrolidin-2-one?
The InChIKey is RAGRECAELHWKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-13-16(11-21-22(13)2)10-20-17-9-19(24)23(12-17)18-7-14-5-3-4-6-15(14)8-18/h3-6,11,17-18,20H,7-10,12H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-2-yl)-4-[(1,5-dimethylpyrazol-4-yl)methylamino]pyrrolidin-2-one?
1-(2,3-dihydro-1H-inden-2-yl)-4-[(1,5-dimethylpyrazol-4-yl)methylamino]pyrrolidin-2-one has a molecular weight of 324.43 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-2-yl)-4-[(1,5-dimethylpyrazol-4-yl)methylamino]pyrrolidin-2-one is sourced from PubChem (CID 45223736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).