3-[5-[4-(dimethylamino)phenyl]-3-phenylpyrazol-1-yl]-1,3-dihydroindol-2-one

C25H22N4O — CID 71457099

IUPAC3-[5-[4-(dimethylamino)phenyl]-3-phenylpyrazol-1-yl]-1,3-dihydroindol-2-one
SMILESCN(C)c1ccc(-c2cc(-c3ccccc3)nn2C2C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C25H22N4O/c1-28(2)19-14-12-18(13-15-19)23-16-22(17-8-4-3-5-9-17)27-29(23)24-20-10-6-7-11-21(20)26-25(24)30/h3-16,24H,1-2H3,(H,26,30)
InChIKeyINGRWHMEMCZHCO-UHFFFAOYSA-N
MW394.48 g/mol
LogP4.82
Rot. Bonds4

About 3-[5-[4-(dimethylamino)phenyl]-3-phenylpyrazol-1-yl]-1,3-dihydroindol-2-one

3-[5-[4-(dimethylamino)phenyl]-3-phenylpyrazol-1-yl]-1,3-dihydroindol-2-one (PubChem CID 71457099) has the molecular formula C25H22N4O and a molecular weight of 394.48 g/mol. Its IUPAC name is 3-[5-[4-(dimethylamino)phenyl]-3-phenylpyrazol-1-yl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-[5-[4-(dimethylamino)phenyl]-3-phenylpyrazol-1-yl]-1,3-dihydroindol-2-one
PubChem CID71457099
Molecular FormulaC25H22N4O
Molecular Weight394.48 g/mol
Exact Mass394.18
IUPAC Name3-[5-[4-(dimethylamino)phenyl]-3-phenylpyrazol-1-yl]-1,3-dihydroindol-2-one
SMILESCN(C)c1ccc(-c2cc(-c3ccccc3)nn2C2C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C25H22N4O/c1-28(2)19-14-12-18(13-15-19)23-16-22(17-8-4-3-5-9-17)27-29(23)24-20-10-6-7-11-21(20)26-25(24)30/h3-16,24H,1-2H3,(H,26,30)
InChIKeyINGRWHMEMCZHCO-UHFFFAOYSA-N
XLogP4.82
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[4-(dimethylamino)phenyl]-3-phenylpyrazol-1-yl]-1,3-dihydroindol-2-one?
The IUPAC name of 3-[5-[4-(dimethylamino)phenyl]-3-phenylpyrazol-1-yl]-1,3-dihydroindol-2-one (CID 71457099) is 3-[5-[4-(dimethylamino)phenyl]-3-phenylpyrazol-1-yl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-[5-[4-(dimethylamino)phenyl]-3-phenylpyrazol-1-yl]-1,3-dihydroindol-2-one?
The canonical SMILES for 3-[5-[4-(dimethylamino)phenyl]-3-phenylpyrazol-1-yl]-1,3-dihydroindol-2-one is CN(C)c1ccc(-c2cc(-c3ccccc3)nn2C2C(=O)Nc3ccccc32)cc1.
What is the InChIKey of 3-[5-[4-(dimethylamino)phenyl]-3-phenylpyrazol-1-yl]-1,3-dihydroindol-2-one?
The InChIKey is INGRWHMEMCZHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O/c1-28(2)19-14-12-18(13-15-19)23-16-22(17-8-4-3-5-9-17)27-29(23)24-20-10-6-7-11-21(20)26-25(24)30/h3-16,24H,1-2H3,(H,26,30).
What are the key properties of 3-[5-[4-(dimethylamino)phenyl]-3-phenylpyrazol-1-yl]-1,3-dihydroindol-2-one?
3-[5-[4-(dimethylamino)phenyl]-3-phenylpyrazol-1-yl]-1,3-dihydroindol-2-one has a molecular weight of 394.48 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[4-(dimethylamino)phenyl]-3-phenylpyrazol-1-yl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 71457099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).