2-[1-[(4-chloro-2-fluoro-3-hydroxyphenyl)methyl]-3,5-diphenylpyrazol-4-yl]-N-hydroxyacetamide

C24H19ClFN3O3 — CID 155397176

IUPAC2-[1-[(4-chloro-2-fluoro-3-hydroxyphenyl)methyl]-3,5-diphenylpyrazol-4-yl]-N-hydroxyacetamide
SMILESO=C(Cc1c(-c2ccccc2)nn(Cc2ccc(Cl)c(O)c2F)c1-c1ccccc1)NO
InChIInChI=1S/C24H19ClFN3O3/c25-19-12-11-17(21(26)24(19)31)14-29-23(16-9-5-2-6-10-16)18(13-20(30)28-32)22(27-29)15-7-3-1-4-8-15/h1-12,31-32H,13-14H2,(H,28,30)
InChIKeyOYEOFRQJGXFZMV-UHFFFAOYSA-N
MW451.89 g/mol
LogP4.81
Rot. Bonds6

About 2-[1-[(4-chloro-2-fluoro-3-hydroxyphenyl)methyl]-3,5-diphenylpyrazol-4-yl]-N-hydroxyacetamide

2-[1-[(4-chloro-2-fluoro-3-hydroxyphenyl)methyl]-3,5-diphenylpyrazol-4-yl]-N-hydroxyacetamide (PubChem CID 155397176) has the molecular formula C24H19ClFN3O3 and a molecular weight of 451.89 g/mol. Its IUPAC name is 2-[1-[(4-chloro-2-fluoro-3-hydroxyphenyl)methyl]-3,5-diphenylpyrazol-4-yl]-N-hydroxyacetamide.

Molecular Properties

Compound Name2-[1-[(4-chloro-2-fluoro-3-hydroxyphenyl)methyl]-3,5-diphenylpyrazol-4-yl]-N-hydroxyacetamide
PubChem CID155397176
Molecular FormulaC24H19ClFN3O3
Molecular Weight451.89 g/mol
Exact Mass451.11
IUPAC Name2-[1-[(4-chloro-2-fluoro-3-hydroxyphenyl)methyl]-3,5-diphenylpyrazol-4-yl]-N-hydroxyacetamide
SMILESO=C(Cc1c(-c2ccccc2)nn(Cc2ccc(Cl)c(O)c2F)c1-c1ccccc1)NO
InChIInChI=1S/C24H19ClFN3O3/c25-19-12-11-17(21(26)24(19)31)14-29-23(16-9-5-2-6-10-16)18(13-20(30)28-32)22(27-29)15-7-3-1-4-8-15/h1-12,31-32H,13-14H2,(H,28,30)
InChIKeyOYEOFRQJGXFZMV-UHFFFAOYSA-N
XLogP4.81
TPSA87.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.89
LogP ≤ 54.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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Related Compounds

3-[1-[(4-chloro-2-fluoro-3-hydroxyphenyl)methyl]-3,5-diphenylpyrazol-4-yl]-N-hydroxypropanamide
CID 155397181
2-[3,5-bis(4-chloro-2-fluoro-3-hydroxyphenyl)-1H-pyrazol-4-yl]-N-hydroxyacetamide
CID 155397189
2-[5-(4-chloro-2-fluoro-3-hydroxyphenyl)-3-phenyl-1H-pyrazol-4-yl]-N-hydroxyacetamide
CID 155737883
6-Chloro-3-[(4-ethyl-3,5-diphenylpyrazol-1-yl)methyl]-2-fluorophenol
CID 175772638

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-chloro-2-fluoro-3-hydroxyphenyl)methyl]-3,5-diphenylpyrazol-4-yl]-N-hydroxyacetamide?
The IUPAC name of 2-[1-[(4-chloro-2-fluoro-3-hydroxyphenyl)methyl]-3,5-diphenylpyrazol-4-yl]-N-hydroxyacetamide (CID 155397176) is 2-[1-[(4-chloro-2-fluoro-3-hydroxyphenyl)methyl]-3,5-diphenylpyrazol-4-yl]-N-hydroxyacetamide.
What is the SMILES notation for 2-[1-[(4-chloro-2-fluoro-3-hydroxyphenyl)methyl]-3,5-diphenylpyrazol-4-yl]-N-hydroxyacetamide?
The canonical SMILES for 2-[1-[(4-chloro-2-fluoro-3-hydroxyphenyl)methyl]-3,5-diphenylpyrazol-4-yl]-N-hydroxyacetamide is O=C(Cc1c(-c2ccccc2)nn(Cc2ccc(Cl)c(O)c2F)c1-c1ccccc1)NO.
What is the InChIKey of 2-[1-[(4-chloro-2-fluoro-3-hydroxyphenyl)methyl]-3,5-diphenylpyrazol-4-yl]-N-hydroxyacetamide?
The InChIKey is OYEOFRQJGXFZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClFN3O3/c25-19-12-11-17(21(26)24(19)31)14-29-23(16-9-5-2-6-10-16)18(13-20(30)28-32)22(27-29)15-7-3-1-4-8-15/h1-12,31-32H,13-14H2,(H,28,30).
What are the key properties of 2-[1-[(4-chloro-2-fluoro-3-hydroxyphenyl)methyl]-3,5-diphenylpyrazol-4-yl]-N-hydroxyacetamide?
2-[1-[(4-chloro-2-fluoro-3-hydroxyphenyl)methyl]-3,5-diphenylpyrazol-4-yl]-N-hydroxyacetamide has a molecular weight of 451.89 g/mol, XLogP of 4.81, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-chloro-2-fluoro-3-hydroxyphenyl)methyl]-3,5-diphenylpyrazol-4-yl]-N-hydroxyacetamide is sourced from PubChem (CID 155397176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).