4-[(1-acetyl-2,3-dihydroindol-5-yl)diazenyl]-5-amino-2-phenyl-1H-pyrazol-3-one

C19H18N6O2 — CID 1042752

IUPAC4-[(1-acetyl-2,3-dihydroindol-5-yl)diazenyl]-5-amino-2-phenyl-1H-pyrazol-3-one
SMILESCC(=O)N1CCc2cc(/N=N/c3c(N)[nH]n(-c4ccccc4)c3=O)ccc21
InChIInChI=1S/C19H18N6O2/c1-12(26)24-10-9-13-11-14(7-8-16(13)24)21-22-17-18(20)23-25(19(17)27)15-5-3-2-4-6-15/h2-8,11,23H,9-10,20H2,1H3/b22-21+
InChIKeyFVXMOSCFPXFIKM-QURGRASLSA-N
MW362.39 g/mol
LogP3.07
Rot. Bonds3

About 4-[(1-acetyl-2,3-dihydroindol-5-yl)diazenyl]-5-amino-2-phenyl-1H-pyrazol-3-one

4-[(1-acetyl-2,3-dihydroindol-5-yl)diazenyl]-5-amino-2-phenyl-1H-pyrazol-3-one (PubChem CID 1042752) has the molecular formula C19H18N6O2 and a molecular weight of 362.39 g/mol. Its IUPAC name is 4-[(1-acetyl-2,3-dihydroindol-5-yl)diazenyl]-5-amino-2-phenyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name4-[(1-acetyl-2,3-dihydroindol-5-yl)diazenyl]-5-amino-2-phenyl-1H-pyrazol-3-one
PubChem CID1042752
Molecular FormulaC19H18N6O2
Molecular Weight362.39 g/mol
Exact Mass362.15
IUPAC Name4-[(1-acetyl-2,3-dihydroindol-5-yl)diazenyl]-5-amino-2-phenyl-1H-pyrazol-3-one
SMILESCC(=O)N1CCc2cc(/N=N/c3c(N)[nH]n(-c4ccccc4)c3=O)ccc21
InChIInChI=1S/C19H18N6O2/c1-12(26)24-10-9-13-11-14(7-8-16(13)24)21-22-17-18(20)23-25(19(17)27)15-5-3-2-4-6-15/h2-8,11,23H,9-10,20H2,1H3/b22-21+
InChIKeyFVXMOSCFPXFIKM-QURGRASLSA-N
XLogP3.07
TPSA108.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

1-[5-(4-phenylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone
CID 29264486
1-[5-[(4-hydroxyphenyl)methylideneamino]-2,3-dihydroindol-1-yl]ethanone
CID 3600435
1-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-phenylpiperazin-1-yl)ethanone
CID 20866210
1-[5-(N-methylanilino)-2,3-dihydroindol-1-yl]ethanone
CID 110454978
4-[(4-hydroxyphenyl)diazenyl]-5-methyl-2-phenyl-1H-pyrazol-3-one
CID 811786
5-amino-4-(naphthalen-1-yldiazenyl)-2-phenyl-1H-pyrazol-3-one
CID 700969
1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)ethanone
CID 71684022
5-[(5-amino-3-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]-3-methyl-1-pyrimidin-2-ylpyrazole-4-carboxylic acid
CID 135979489
methane;1-(5-methyl-2,3-dihydroindol-1-yl)ethanone
CID 159834618
1-[4-(1-acetyl-2,3-dihydroindol-5-yl)piperazin-1-yl]ethanone
CID 82537881
1-[5-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone
CID 73012338
3-(1-acetyl-2,3-dihydroindol-5-yl)-5-(aminomethyl)-1,3-oxazolidin-2-one
CID 22982594

Frequently Asked Questions

What is the IUPAC name of 4-[(1-acetyl-2,3-dihydroindol-5-yl)diazenyl]-5-amino-2-phenyl-1H-pyrazol-3-one?
The IUPAC name of 4-[(1-acetyl-2,3-dihydroindol-5-yl)diazenyl]-5-amino-2-phenyl-1H-pyrazol-3-one (CID 1042752) is 4-[(1-acetyl-2,3-dihydroindol-5-yl)diazenyl]-5-amino-2-phenyl-1H-pyrazol-3-one.
What is the SMILES notation for 4-[(1-acetyl-2,3-dihydroindol-5-yl)diazenyl]-5-amino-2-phenyl-1H-pyrazol-3-one?
The canonical SMILES for 4-[(1-acetyl-2,3-dihydroindol-5-yl)diazenyl]-5-amino-2-phenyl-1H-pyrazol-3-one is CC(=O)N1CCc2cc(/N=N/c3c(N)[nH]n(-c4ccccc4)c3=O)ccc21.
What is the InChIKey of 4-[(1-acetyl-2,3-dihydroindol-5-yl)diazenyl]-5-amino-2-phenyl-1H-pyrazol-3-one?
The InChIKey is FVXMOSCFPXFIKM-QURGRASLSA-N. The full InChI is InChI=1S/C19H18N6O2/c1-12(26)24-10-9-13-11-14(7-8-16(13)24)21-22-17-18(20)23-25(19(17)27)15-5-3-2-4-6-15/h2-8,11,23H,9-10,20H2,1H3/b22-21+.
What are the key properties of 4-[(1-acetyl-2,3-dihydroindol-5-yl)diazenyl]-5-amino-2-phenyl-1H-pyrazol-3-one?
4-[(1-acetyl-2,3-dihydroindol-5-yl)diazenyl]-5-amino-2-phenyl-1H-pyrazol-3-one has a molecular weight of 362.39 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-acetyl-2,3-dihydroindol-5-yl)diazenyl]-5-amino-2-phenyl-1H-pyrazol-3-one is sourced from PubChem (CID 1042752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).