About N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 55911854) has the molecular formula C25H24FN7O2
and a molecular weight of 473.51 g/mol. Its IUPAC name is N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide.
Molecular Properties
| Compound Name | N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide |
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| PubChem CID | 55911854 |
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| Molecular Formula | C25H24FN7O2 |
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| Molecular Weight | 473.51 g/mol |
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| Exact Mass | 473.20 |
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| IUPAC Name | N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide |
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| SMILES | N#Cc1c(CCCNC(=O)C2=NN(Cc3ccc(F)cc3)C(=O)CC2)nn(-c2ccccc2)c1N |
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| InChI | InChI=1S/C25H24FN7O2/c26-18-10-8-17(9-11-18)16-32-23(34)13-12-22(30-32)25(35)29-14-4-7-21-20(15-27)24(28)33(31-21)19-5-2-1-3-6-19/h1-3,5-6,8-11H,4,7,12-14,16,28H2,(H,29,35) |
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| InChIKey | GXTGJIAAGJODFU-UHFFFAOYSA-N |
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| XLogP | 2.69 |
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| TPSA | 129.40 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 35 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 473.51 |
| LogP ≤ 5 | 2.69 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 7 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 55911854) is N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide is N#Cc1c(CCCNC(=O)C2=NN(Cc3ccc(F)cc3)C(=O)CC2)nn(-c2ccccc2)c1N.
What is the InChIKey of N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is GXTGJIAAGJODFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN7O2/c26-18-10-8-17(9-11-18)16-32-23(34)13-12-22(30-32)25(35)29-14-4-7-21-20(15-27)24(28)33(31-21)19-5-2-1-3-6-19/h1-3,5-6,8-11H,4,7,12-14,16,28H2,(H,29,35).
What are the key properties of N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 473.51 g/mol, XLogP of 2.69, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 55911854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).