2-[4-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl]-N-hydroxy-N-methylacetamide

C19H18FN3O4S — CID 19355555

IUPAC2-[4-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl]-N-hydroxy-N-methylacetamide
SMILESCN(O)C(=O)Cn1cc(-c2ccc(F)cc2)c(-c2ccc(S(C)(=O)=O)cc2)n1
InChIInChI=1S/C19H18FN3O4S/c1-22(25)18(24)12-23-11-17(13-3-7-15(20)8-4-13)19(21-23)14-5-9-16(10-6-14)28(2,26)27/h3-11,25H,12H2,1-2H3
InChIKeyCSOIPLCAXUQXKQ-UHFFFAOYSA-N
MW403.44 g/mol
LogP2.61
Rot. Bonds5

About 2-[4-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl]-N-hydroxy-N-methylacetamide

2-[4-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl]-N-hydroxy-N-methylacetamide (PubChem CID 19355555) has the molecular formula C19H18FN3O4S and a molecular weight of 403.44 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl]-N-hydroxy-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl]-N-hydroxy-N-methylacetamide
PubChem CID19355555
Molecular FormulaC19H18FN3O4S
Molecular Weight403.44 g/mol
Exact Mass403.10
IUPAC Name2-[4-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl]-N-hydroxy-N-methylacetamide
SMILESCN(O)C(=O)Cn1cc(-c2ccc(F)cc2)c(-c2ccc(S(C)(=O)=O)cc2)n1
InChIInChI=1S/C19H18FN3O4S/c1-22(25)18(24)12-23-11-17(13-3-7-15(20)8-4-13)19(21-23)14-5-9-16(10-6-14)28(2,26)27/h3-11,25H,12H2,1-2H3
InChIKeyCSOIPLCAXUQXKQ-UHFFFAOYSA-N
XLogP2.61
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 52.61
H-Bond Donors ≤ 51
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 2-[4-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl]-N-hydroxy-N-methylacetamide?
The IUPAC name of 2-[4-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl]-N-hydroxy-N-methylacetamide (CID 19355555) is 2-[4-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl]-N-hydroxy-N-methylacetamide.
What is the SMILES notation for 2-[4-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl]-N-hydroxy-N-methylacetamide?
The canonical SMILES for 2-[4-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl]-N-hydroxy-N-methylacetamide is CN(O)C(=O)Cn1cc(-c2ccc(F)cc2)c(-c2ccc(S(C)(=O)=O)cc2)n1.
What is the InChIKey of 2-[4-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl]-N-hydroxy-N-methylacetamide?
The InChIKey is CSOIPLCAXUQXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O4S/c1-22(25)18(24)12-23-11-17(13-3-7-15(20)8-4-13)19(21-23)14-5-9-16(10-6-14)28(2,26)27/h3-11,25H,12H2,1-2H3.
What are the key properties of 2-[4-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl]-N-hydroxy-N-methylacetamide?
2-[4-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl]-N-hydroxy-N-methylacetamide has a molecular weight of 403.44 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazol-1-yl]-N-hydroxy-N-methylacetamide is sourced from PubChem (CID 19355555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).