2-[3,5-bis(4-chloro-2-fluoro-3-hydroxyphenyl)-1H-pyrazol-4-yl]-N-hydroxyacetamide

C17H11Cl2F2N3O4 — CID 155397189

IUPAC2-[3,5-bis(4-chloro-2-fluoro-3-hydroxyphenyl)-1H-pyrazol-4-yl]-N-hydroxyacetamide
SMILESO=C(Cc1c(-c2ccc(Cl)c(O)c2F)n[nH]c1-c1ccc(Cl)c(O)c1F)NO
InChIInChI=1S/C17H11Cl2F2N3O4/c18-9-3-1-6(12(20)16(9)26)14-8(5-11(25)24-28)15(23-22-14)7-2-4-10(19)17(27)13(7)21/h1-4,26-28H,5H2,(H,22,23)(H,24,25)
InChIKeyFESFXEOGKAMRKF-UHFFFAOYSA-N
MW430.19 g/mol
LogP3.79
Rot. Bonds4

About 2-[3,5-bis(4-chloro-2-fluoro-3-hydroxyphenyl)-1H-pyrazol-4-yl]-N-hydroxyacetamide

2-[3,5-bis(4-chloro-2-fluoro-3-hydroxyphenyl)-1H-pyrazol-4-yl]-N-hydroxyacetamide (PubChem CID 155397189) has the molecular formula C17H11Cl2F2N3O4 and a molecular weight of 430.19 g/mol. Its IUPAC name is 2-[3,5-bis(4-chloro-2-fluoro-3-hydroxyphenyl)-1H-pyrazol-4-yl]-N-hydroxyacetamide.

Molecular Properties

Compound Name2-[3,5-bis(4-chloro-2-fluoro-3-hydroxyphenyl)-1H-pyrazol-4-yl]-N-hydroxyacetamide
PubChem CID155397189
Molecular FormulaC17H11Cl2F2N3O4
Molecular Weight430.19 g/mol
Exact Mass429.01
IUPAC Name2-[3,5-bis(4-chloro-2-fluoro-3-hydroxyphenyl)-1H-pyrazol-4-yl]-N-hydroxyacetamide
SMILESO=C(Cc1c(-c2ccc(Cl)c(O)c2F)n[nH]c1-c1ccc(Cl)c(O)c1F)NO
InChIInChI=1S/C17H11Cl2F2N3O4/c18-9-3-1-6(12(20)16(9)26)14-8(5-11(25)24-28)15(23-22-14)7-2-4-10(19)17(27)13(7)21/h1-4,26-28H,5H2,(H,22,23)(H,24,25)
InChIKeyFESFXEOGKAMRKF-UHFFFAOYSA-N
XLogP3.79
TPSA118.47 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.19
LogP ≤ 53.79
H-Bond Donors ≤ 55
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'}

Analyze 2-[3,5-bis(4-chloro-2-fluoro-3-hydroxyphenyl)-1H-pyrazol-4-yl]-N-hydroxyacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-2-fluoro-3-[(3-phenyl-1H-pyrazol-5-yl)methyl]phenol
CID 59299264
2-[3-(3-chloro-5-fluoro-4-hydroxyphenyl)-5-phenyl-1H-pyrazol-4-yl]-N-hydroxyacetamide
CID 155390304
3-[3-(3-chloro-5-fluoro-4-hydroxyphenyl)-5-phenyl-1H-pyrazol-4-yl]-N-hydroxypropanamide
CID 155390305
3-[3-(3-chloro-5-fluoro-4-hydroxyphenyl)-4-[2-(hydroxyamino)-2-oxoethyl]-1H-pyrazol-5-yl]benzoic acid
CID 155397165
2-[1-[(4-chloro-2-fluoro-3-hydroxyphenyl)methyl]-3,5-diphenylpyrazol-4-yl]-N-hydroxyacetamide
CID 155397176
2-[3-(4-chloro-2-fluoro-3-hydroxyphenyl)-5-(2-fluoro-3-hydroxy-4-methylphenyl)-1H-pyrazol-4-yl]-N-hydroxyacetamide
CID 155737882
2-[5-(4-chloro-2-fluoro-3-hydroxyphenyl)-3-phenyl-1H-pyrazol-4-yl]-N-hydroxyacetamide
CID 155737883
3-[5-(4-chloro-2-fluoro-3-hydroxyphenyl)-4-[2-(hydroxyamino)-2-oxoethyl]-1H-pyrazol-3-yl]benzoic acid
CID 155737927
4-[5-(4-chloro-2-fluoro-3-hydroxyphenyl)-4-[2-(hydroxyamino)-2-oxoethyl]-1H-pyrazol-3-yl]benzoic acid
CID 163282617
6-chloro-3-(4-ethyl-3-phenyl-1H-pyrazol-5-yl)-2-fluorophenol
CID 175772647
6-chloro-3-[3-(4-chloro-2-fluoro-3-hydroxyphenyl)-1H-pyrazol-5-yl]-2-fluorophenol
CID 178182129

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(4-chloro-2-fluoro-3-hydroxyphenyl)-1H-pyrazol-4-yl]-N-hydroxyacetamide?
The IUPAC name of 2-[3,5-bis(4-chloro-2-fluoro-3-hydroxyphenyl)-1H-pyrazol-4-yl]-N-hydroxyacetamide (CID 155397189) is 2-[3,5-bis(4-chloro-2-fluoro-3-hydroxyphenyl)-1H-pyrazol-4-yl]-N-hydroxyacetamide.
What is the SMILES notation for 2-[3,5-bis(4-chloro-2-fluoro-3-hydroxyphenyl)-1H-pyrazol-4-yl]-N-hydroxyacetamide?
The canonical SMILES for 2-[3,5-bis(4-chloro-2-fluoro-3-hydroxyphenyl)-1H-pyrazol-4-yl]-N-hydroxyacetamide is O=C(Cc1c(-c2ccc(Cl)c(O)c2F)n[nH]c1-c1ccc(Cl)c(O)c1F)NO.
What is the InChIKey of 2-[3,5-bis(4-chloro-2-fluoro-3-hydroxyphenyl)-1H-pyrazol-4-yl]-N-hydroxyacetamide?
The InChIKey is FESFXEOGKAMRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2F2N3O4/c18-9-3-1-6(12(20)16(9)26)14-8(5-11(25)24-28)15(23-22-14)7-2-4-10(19)17(27)13(7)21/h1-4,26-28H,5H2,(H,22,23)(H,24,25).
What are the key properties of 2-[3,5-bis(4-chloro-2-fluoro-3-hydroxyphenyl)-1H-pyrazol-4-yl]-N-hydroxyacetamide?
2-[3,5-bis(4-chloro-2-fluoro-3-hydroxyphenyl)-1H-pyrazol-4-yl]-N-hydroxyacetamide has a molecular weight of 430.19 g/mol, XLogP of 3.79, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(4-chloro-2-fluoro-3-hydroxyphenyl)-1H-pyrazol-4-yl]-N-hydroxyacetamide is sourced from PubChem (CID 155397189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).