3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)imino-1H-indol-2-one

C19H16N4O2 — CID 135437122

IUPAC3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)imino-1H-indol-2-one
SMILESCc1c(/N=C2/C(=O)Nc3ccccc32)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C19H16N4O2/c1-12-16(19(25)23(22(12)2)13-8-4-3-5-9-13)21-17-14-10-6-7-11-15(14)20-18(17)24/h3-11H,1-2H3,(H,20,21,24)
InChIKeyUBDHHVNTMGVYRZ-UHFFFAOYSA-N
MW332.36 g/mol
LogP2.56
Rot. Bonds2

About 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)imino-1H-indol-2-one

3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)imino-1H-indol-2-one (PubChem CID 135437122) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)imino-1H-indol-2-one.

Molecular Properties

Compound Name3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)imino-1H-indol-2-one
PubChem CID135437122
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Name3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)imino-1H-indol-2-one
SMILESCc1c(/N=C2/C(=O)Nc3ccccc32)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C19H16N4O2/c1-12-16(19(25)23(22(12)2)13-8-4-3-5-9-13)21-17-14-10-6-7-11-15(14)20-18(17)24/h3-11H,1-2H3,(H,20,21,24)
InChIKeyUBDHHVNTMGVYRZ-UHFFFAOYSA-N
XLogP2.56
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-(4-Methylanilino)indol-2-one
CID 135412515
2-Indolinone, 3-(phenylimino)-
CID 135442567
3-(diphenylhydrazinylidene)-1,3-dihydro-2H-indol-2-one
CID 135439090
(3Z)-3-[(2,4,6-trimethylphenyl)imino]-1,3-dihydro-2H-indol-2-one
CID 135406219
2-Phenyl-3,5-dihydro-2H-pyrazolo[3,4-c]quinoline-1,4-dione
CID 15032471
(3E)-3-[(2,4-Dimethylphenyl)imino]-1,3-dihydro-2H-indol-2-one
CID 135502033
1H-Indol-2-one, 2,3-dihydro-3-(2,6-dimethylphenylimino)-
CID 135519798
2-Indolinone, 3-(methylimino)-
CID 135522218
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 1124477
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(2,3-dioxo-2,3-dihydro-1H-indol-1-yl)acetamide
CID 2056423
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-oxo-1H-quinoline-4-carboxamide
CID 2449863
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-6-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)hexanamide
CID 3524504

Frequently Asked Questions

What is the IUPAC name of 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)imino-1H-indol-2-one?
The IUPAC name of 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)imino-1H-indol-2-one (CID 135437122) is 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)imino-1H-indol-2-one.
What is the SMILES notation for 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)imino-1H-indol-2-one?
The canonical SMILES for 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)imino-1H-indol-2-one is Cc1c(/N=C2/C(=O)Nc3ccccc32)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)imino-1H-indol-2-one?
The InChIKey is UBDHHVNTMGVYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c1-12-16(19(25)23(22(12)2)13-8-4-3-5-9-13)21-17-14-10-6-7-11-15(14)20-18(17)24/h3-11H,1-2H3,(H,20,21,24).
What are the key properties of 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)imino-1H-indol-2-one?
3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)imino-1H-indol-2-one has a molecular weight of 332.36 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)imino-1H-indol-2-one is sourced from PubChem (CID 135437122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).