5-(4-butylphenyl)sulfonyl-N-hydroxy-3-oxo-2-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide

C23H26N4O5S — CID 11754471

IUPAC5-(4-butylphenyl)sulfonyl-N-hydroxy-3-oxo-2-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide
SMILESCCCCc1ccc(S(=O)(=O)N2CCc3[nH]n(-c4ccccc4)c(=O)c3C2C(=O)NO)cc1
InChIInChI=1S/C23H26N4O5S/c1-2-3-7-16-10-12-18(13-11-16)33(31,32)26-15-14-19-20(21(26)22(28)25-30)23(29)27(24-19)17-8-5-4-6-9-17/h4-6,8-13,21,24,30H,2-3,7,14-15H2,1H3,(H,25,28)
InChIKeyNRNYXKPIOKBPKT-UHFFFAOYSA-N
MW470.55 g/mol
LogP2.30
Rot. Bonds7

About 5-(4-butylphenyl)sulfonyl-N-hydroxy-3-oxo-2-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide

5-(4-butylphenyl)sulfonyl-N-hydroxy-3-oxo-2-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide (PubChem CID 11754471) has the molecular formula C23H26N4O5S and a molecular weight of 470.55 g/mol. Its IUPAC name is 5-(4-butylphenyl)sulfonyl-N-hydroxy-3-oxo-2-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name5-(4-butylphenyl)sulfonyl-N-hydroxy-3-oxo-2-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide
PubChem CID11754471
Molecular FormulaC23H26N4O5S
Molecular Weight470.55 g/mol
Exact Mass470.16
IUPAC Name5-(4-butylphenyl)sulfonyl-N-hydroxy-3-oxo-2-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide
SMILESCCCCc1ccc(S(=O)(=O)N2CCc3[nH]n(-c4ccccc4)c(=O)c3C2C(=O)NO)cc1
InChIInChI=1S/C23H26N4O5S/c1-2-3-7-16-10-12-18(13-11-16)33(31,32)26-15-14-19-20(21(26)22(28)25-30)23(29)27(24-19)17-8-5-4-6-9-17/h4-6,8-13,21,24,30H,2-3,7,14-15H2,1H3,(H,25,28)
InChIKeyNRNYXKPIOKBPKT-UHFFFAOYSA-N
XLogP2.30
TPSA124.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.55
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-butylphenyl)sulfonyl-N-hydroxy-3-oxo-2-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide?
The IUPAC name of 5-(4-butylphenyl)sulfonyl-N-hydroxy-3-oxo-2-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide (CID 11754471) is 5-(4-butylphenyl)sulfonyl-N-hydroxy-3-oxo-2-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide.
What is the SMILES notation for 5-(4-butylphenyl)sulfonyl-N-hydroxy-3-oxo-2-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide?
The canonical SMILES for 5-(4-butylphenyl)sulfonyl-N-hydroxy-3-oxo-2-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide is CCCCc1ccc(S(=O)(=O)N2CCc3[nH]n(-c4ccccc4)c(=O)c3C2C(=O)NO)cc1.
What is the InChIKey of 5-(4-butylphenyl)sulfonyl-N-hydroxy-3-oxo-2-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide?
The InChIKey is NRNYXKPIOKBPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O5S/c1-2-3-7-16-10-12-18(13-11-16)33(31,32)26-15-14-19-20(21(26)22(28)25-30)23(29)27(24-19)17-8-5-4-6-9-17/h4-6,8-13,21,24,30H,2-3,7,14-15H2,1H3,(H,25,28).
What are the key properties of 5-(4-butylphenyl)sulfonyl-N-hydroxy-3-oxo-2-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide?
5-(4-butylphenyl)sulfonyl-N-hydroxy-3-oxo-2-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide has a molecular weight of 470.55 g/mol, XLogP of 2.30, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-butylphenyl)sulfonyl-N-hydroxy-3-oxo-2-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide is sourced from PubChem (CID 11754471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).