1,3-diethyl-N-[4-(3-formyl-2-oxo-1,3-dihydroindole-6-carbonyl)phenyl]pyrazole-5-carboxamide

C24H22N4O4 — CID 90967686

IUPAC1,3-diethyl-N-[4-(3-formyl-2-oxo-1,3-dihydroindole-6-carbonyl)phenyl]pyrazole-5-carboxamide
SMILESCCc1cc(C(=O)Nc2ccc(C(=O)c3ccc4c(c3)NC(=O)C4C=O)cc2)n(CC)n1
InChIInChI=1S/C24H22N4O4/c1-3-16-12-21(28(4-2)27-16)24(32)25-17-8-5-14(6-9-17)22(30)15-7-10-18-19(13-29)23(31)26-20(18)11-15/h5-13,19H,3-4H2,1-2H3,(H,25,32)(H,26,31)
InChIKeyZBQFPSFXRPYQLA-UHFFFAOYSA-N
MW430.46 g/mol
LogP3.18
Rot. Bonds7

About 1,3-diethyl-N-[4-(3-formyl-2-oxo-1,3-dihydroindole-6-carbonyl)phenyl]pyrazole-5-carboxamide

1,3-diethyl-N-[4-(3-formyl-2-oxo-1,3-dihydroindole-6-carbonyl)phenyl]pyrazole-5-carboxamide (PubChem CID 90967686) has the molecular formula C24H22N4O4 and a molecular weight of 430.46 g/mol. Its IUPAC name is 1,3-diethyl-N-[4-(3-formyl-2-oxo-1,3-dihydroindole-6-carbonyl)phenyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1,3-diethyl-N-[4-(3-formyl-2-oxo-1,3-dihydroindole-6-carbonyl)phenyl]pyrazole-5-carboxamide
PubChem CID90967686
Molecular FormulaC24H22N4O4
Molecular Weight430.46 g/mol
Exact Mass430.16
IUPAC Name1,3-diethyl-N-[4-(3-formyl-2-oxo-1,3-dihydroindole-6-carbonyl)phenyl]pyrazole-5-carboxamide
SMILESCCc1cc(C(=O)Nc2ccc(C(=O)c3ccc4c(c3)NC(=O)C4C=O)cc2)n(CC)n1
InChIInChI=1S/C24H22N4O4/c1-3-16-12-21(28(4-2)27-16)24(32)25-17-8-5-14(6-9-17)22(30)15-7-10-18-19(13-29)23(31)26-20(18)11-15/h5-13,19H,3-4H2,1-2H3,(H,25,32)(H,26,31)
InChIKeyZBQFPSFXRPYQLA-UHFFFAOYSA-N
XLogP3.18
TPSA110.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-N-[4-(3-formyl-2-oxo-1,3-dihydroindole-5-carbonyl)phenyl]-5-methylpyrazole-3-carboxamide
CID 90745562
N-[4-(aminomethyl)phenyl]-1,3-diethylpyrazole-5-carboxamide
CID 66120978
2-ethyl-5-methyl-N-[4-[3-[(5-methyl-1H-pyrazol-3-yl)iminomethyl]-2-oxo-1,3-dihydroindole-5-carbonyl]phenyl]pyrazole-3-carboxamide
CID 123381572
N-[3-(3-formyl-2-oxo-1,3-dihydroindole-6-carbonyl)phenyl]-2-phenylpyrazole-3-carboxamide
CID 91404069
N-[3-(3-formyl-2-oxo-1,3-dihydroindole-6-carbonyl)phenyl]-2-methylbenzamide
CID 91290164
2-ethyl-N-[4-[3-[(3-hydroxy-4-methoxyphenyl)iminomethyl]-2-oxo-1,3-dihydroindole-5-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide
CID 91497616
2-ethyl-N-[3-[3-[(3-hydroxyphenyl)iminomethyl]-2-oxo-1,3-dihydroindole-5-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide
CID 91615081
N-(3-bromo-4-methylphenyl)-1,3-diethylpyrazole-5-carboxamide
CID 66120808
N-[3-(1-aminoethyl)phenyl]-1,3-diethylpyrazole-5-carboxamide
CID 66121775
1,3-diethyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide
CID 66120821
2-ethyl-N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-5-methylpyrazole-3-carboxamide
CID 77113127
1-ethyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 131897060

Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-N-[4-(3-formyl-2-oxo-1,3-dihydroindole-6-carbonyl)phenyl]pyrazole-5-carboxamide?
The IUPAC name of 1,3-diethyl-N-[4-(3-formyl-2-oxo-1,3-dihydroindole-6-carbonyl)phenyl]pyrazole-5-carboxamide (CID 90967686) is 1,3-diethyl-N-[4-(3-formyl-2-oxo-1,3-dihydroindole-6-carbonyl)phenyl]pyrazole-5-carboxamide.
What is the SMILES notation for 1,3-diethyl-N-[4-(3-formyl-2-oxo-1,3-dihydroindole-6-carbonyl)phenyl]pyrazole-5-carboxamide?
The canonical SMILES for 1,3-diethyl-N-[4-(3-formyl-2-oxo-1,3-dihydroindole-6-carbonyl)phenyl]pyrazole-5-carboxamide is CCc1cc(C(=O)Nc2ccc(C(=O)c3ccc4c(c3)NC(=O)C4C=O)cc2)n(CC)n1.
What is the InChIKey of 1,3-diethyl-N-[4-(3-formyl-2-oxo-1,3-dihydroindole-6-carbonyl)phenyl]pyrazole-5-carboxamide?
The InChIKey is ZBQFPSFXRPYQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O4/c1-3-16-12-21(28(4-2)27-16)24(32)25-17-8-5-14(6-9-17)22(30)15-7-10-18-19(13-29)23(31)26-20(18)11-15/h5-13,19H,3-4H2,1-2H3,(H,25,32)(H,26,31).
What are the key properties of 1,3-diethyl-N-[4-(3-formyl-2-oxo-1,3-dihydroindole-6-carbonyl)phenyl]pyrazole-5-carboxamide?
1,3-diethyl-N-[4-(3-formyl-2-oxo-1,3-dihydroindole-6-carbonyl)phenyl]pyrazole-5-carboxamide has a molecular weight of 430.46 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-N-[4-(3-formyl-2-oxo-1,3-dihydroindole-6-carbonyl)phenyl]pyrazole-5-carboxamide is sourced from PubChem (CID 90967686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).