2-ethyl-N-[4-(3-formyl-2-oxo-1,3-dihydroindole-5-carbonyl)phenyl]-5-methylpyrazole-3-carboxamide

C23H20N4O4 — CID 90745562

IUPAC2-ethyl-N-[4-(3-formyl-2-oxo-1,3-dihydroindole-5-carbonyl)phenyl]-5-methylpyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)Nc1ccc(C(=O)c2ccc3c(c2)C(C=O)C(=O)N3)cc1
InChIInChI=1S/C23H20N4O4/c1-3-27-20(10-13(2)26-27)23(31)24-16-7-4-14(5-8-16)21(29)15-6-9-19-17(11-15)18(12-28)22(30)25-19/h4-12,18H,3H2,1-2H3,(H,24,31)(H,25,30)
InChIKeyOBNCWRSCNRJKKH-UHFFFAOYSA-N
MW416.44 g/mol
LogP2.93
Rot. Bonds6

About 2-ethyl-N-[4-(3-formyl-2-oxo-1,3-dihydroindole-5-carbonyl)phenyl]-5-methylpyrazole-3-carboxamide

2-ethyl-N-[4-(3-formyl-2-oxo-1,3-dihydroindole-5-carbonyl)phenyl]-5-methylpyrazole-3-carboxamide (PubChem CID 90745562) has the molecular formula C23H20N4O4 and a molecular weight of 416.44 g/mol. Its IUPAC name is 2-ethyl-N-[4-(3-formyl-2-oxo-1,3-dihydroindole-5-carbonyl)phenyl]-5-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[4-(3-formyl-2-oxo-1,3-dihydroindole-5-carbonyl)phenyl]-5-methylpyrazole-3-carboxamide
PubChem CID90745562
Molecular FormulaC23H20N4O4
Molecular Weight416.44 g/mol
Exact Mass416.15
IUPAC Name2-ethyl-N-[4-(3-formyl-2-oxo-1,3-dihydroindole-5-carbonyl)phenyl]-5-methylpyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)Nc1ccc(C(=O)c2ccc3c(c2)C(C=O)C(=O)N3)cc1
InChIInChI=1S/C23H20N4O4/c1-3-27-20(10-13(2)26-27)23(31)24-16-7-4-14(5-8-16)21(29)15-6-9-19-17(11-15)18(12-28)22(30)25-19/h4-12,18H,3H2,1-2H3,(H,24,31)(H,25,30)
InChIKeyOBNCWRSCNRJKKH-UHFFFAOYSA-N
XLogP2.93
TPSA110.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 52.93
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-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
1,3-diethyl-N-[4-(3-formyl-2-oxo-1,3-dihydroindole-6-carbonyl)phenyl]pyrazole-5-carboxamide
CID 90967686
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
2-ethyl-N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-5-methylpyrazole-3-carboxamide
CID 77113127
2-ethyl-5-methyl-N-[4-[(2-oxo-1,3-dihydroindol-5-yl)methyl]phenyl]pyrazole-3-carboxamide
CID 86610375
2-ethyl-5-methyl-N-(4-propylsulfanylphenyl)pyrazole-3-carboxamide
CID 131946446
1-ethyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 131897060
2,5-dimethyl-N-[4-[[3-[(5-methyl-1H-pyrazol-3-yl)iminomethyl]-2-oxo-1,3-dihydroindol-5-yl]methyl]phenyl]pyrazole-3-carboxamide
CID 123413258
N-(4-bromo-3-chlorophenyl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 113278409
2-ethyl-N-(9-ethylcarbazol-3-yl)-5-methylpyrazole-3-carboxamide
CID 60619206
2-ethyl-5-methyl-N-(4-methyl-1H-pyrazol-5-yl)pyrazole-3-carboxamide
CID 113236961

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[4-(3-formyl-2-oxo-1,3-dihydroindole-5-carbonyl)phenyl]-5-methylpyrazole-3-carboxamide?
The IUPAC name of 2-ethyl-N-[4-(3-formyl-2-oxo-1,3-dihydroindole-5-carbonyl)phenyl]-5-methylpyrazole-3-carboxamide (CID 90745562) is 2-ethyl-N-[4-(3-formyl-2-oxo-1,3-dihydroindole-5-carbonyl)phenyl]-5-methylpyrazole-3-carboxamide.
What is the SMILES notation for 2-ethyl-N-[4-(3-formyl-2-oxo-1,3-dihydroindole-5-carbonyl)phenyl]-5-methylpyrazole-3-carboxamide?
The canonical SMILES for 2-ethyl-N-[4-(3-formyl-2-oxo-1,3-dihydroindole-5-carbonyl)phenyl]-5-methylpyrazole-3-carboxamide is CCn1nc(C)cc1C(=O)Nc1ccc(C(=O)c2ccc3c(c2)C(C=O)C(=O)N3)cc1.
What is the InChIKey of 2-ethyl-N-[4-(3-formyl-2-oxo-1,3-dihydroindole-5-carbonyl)phenyl]-5-methylpyrazole-3-carboxamide?
The InChIKey is OBNCWRSCNRJKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O4/c1-3-27-20(10-13(2)26-27)23(31)24-16-7-4-14(5-8-16)21(29)15-6-9-19-17(11-15)18(12-28)22(30)25-19/h4-12,18H,3H2,1-2H3,(H,24,31)(H,25,30).
What are the key properties of 2-ethyl-N-[4-(3-formyl-2-oxo-1,3-dihydroindole-5-carbonyl)phenyl]-5-methylpyrazole-3-carboxamide?
2-ethyl-N-[4-(3-formyl-2-oxo-1,3-dihydroindole-5-carbonyl)phenyl]-5-methylpyrazole-3-carboxamide has a molecular weight of 416.44 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[4-(3-formyl-2-oxo-1,3-dihydroindole-5-carbonyl)phenyl]-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 90745562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).