3-[3-(3-chloro-5-fluoro-4-hydroxyphenyl)-5-phenyl-1H-pyrazol-4-yl]-N-hydroxypropanamide

C18H15ClFN3O3 — CID 155390305

IUPAC3-[3-(3-chloro-5-fluoro-4-hydroxyphenyl)-5-phenyl-1H-pyrazol-4-yl]-N-hydroxypropanamide
SMILESO=C(CCc1c(-c2cc(F)c(O)c(Cl)c2)n[nH]c1-c1ccccc1)NO
InChIInChI=1S/C18H15ClFN3O3/c19-13-8-11(9-14(20)18(13)25)17-12(6-7-15(24)23-26)16(21-22-17)10-4-2-1-3-5-10/h1-5,8-9,25-26H,6-7H2,(H,21,22)(H,23,24)
InChIKeyRSGYWTUWNCMOHK-UHFFFAOYSA-N
MW375.79 g/mol
LogP3.68
Rot. Bonds5

About 3-[3-(3-chloro-5-fluoro-4-hydroxyphenyl)-5-phenyl-1H-pyrazol-4-yl]-N-hydroxypropanamide

3-[3-(3-chloro-5-fluoro-4-hydroxyphenyl)-5-phenyl-1H-pyrazol-4-yl]-N-hydroxypropanamide (PubChem CID 155390305) has the molecular formula C18H15ClFN3O3 and a molecular weight of 375.79 g/mol. Its IUPAC name is 3-[3-(3-chloro-5-fluoro-4-hydroxyphenyl)-5-phenyl-1H-pyrazol-4-yl]-N-hydroxypropanamide.

Molecular Properties

Compound Name3-[3-(3-chloro-5-fluoro-4-hydroxyphenyl)-5-phenyl-1H-pyrazol-4-yl]-N-hydroxypropanamide
PubChem CID155390305
Molecular FormulaC18H15ClFN3O3
Molecular Weight375.79 g/mol
Exact Mass375.08
IUPAC Name3-[3-(3-chloro-5-fluoro-4-hydroxyphenyl)-5-phenyl-1H-pyrazol-4-yl]-N-hydroxypropanamide
SMILESO=C(CCc1c(-c2cc(F)c(O)c(Cl)c2)n[nH]c1-c1ccccc1)NO
InChIInChI=1S/C18H15ClFN3O3/c19-13-8-11(9-14(20)18(13)25)17-12(6-7-15(24)23-26)16(21-22-17)10-4-2-1-3-5-10/h1-5,8-9,25-26H,6-7H2,(H,21,22)(H,23,24)
InChIKeyRSGYWTUWNCMOHK-UHFFFAOYSA-N
XLogP3.68
TPSA98.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.79
LogP ≤ 53.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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

2-chloro-6-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]phenol
CID 137031960
5-[(3-chloro-4-fluorophenyl)methyl]-3-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazole-4-carboxamide
CID 149222210
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)-4-[2-(hydroxyamino)-2-oxoethyl]-1H-pyrazol-5-yl]benzoic acid
CID 155397165
2-[3,5-bis(4-chloro-2-fluoro-3-hydroxyphenyl)-1H-pyrazol-4-yl]-N-hydroxyacetamide
CID 155397189
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
2-chloro-4-(4-ethyl-5-phenyl-1H-pyrazol-3-yl)-6-fluorophenol
CID 175772646
2-chloro-4-[5-(4-hydroxyphenyl)-1H-pyrazol-3-yl]phenol
CID 140065485
2,6-dichloro-4-[5-(4-hydroxyphenyl)-1H-pyrazol-3-yl]phenol
CID 140065496

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-chloro-5-fluoro-4-hydroxyphenyl)-5-phenyl-1H-pyrazol-4-yl]-N-hydroxypropanamide?
The IUPAC name of 3-[3-(3-chloro-5-fluoro-4-hydroxyphenyl)-5-phenyl-1H-pyrazol-4-yl]-N-hydroxypropanamide (CID 155390305) is 3-[3-(3-chloro-5-fluoro-4-hydroxyphenyl)-5-phenyl-1H-pyrazol-4-yl]-N-hydroxypropanamide.
What is the SMILES notation for 3-[3-(3-chloro-5-fluoro-4-hydroxyphenyl)-5-phenyl-1H-pyrazol-4-yl]-N-hydroxypropanamide?
The canonical SMILES for 3-[3-(3-chloro-5-fluoro-4-hydroxyphenyl)-5-phenyl-1H-pyrazol-4-yl]-N-hydroxypropanamide is O=C(CCc1c(-c2cc(F)c(O)c(Cl)c2)n[nH]c1-c1ccccc1)NO.
What is the InChIKey of 3-[3-(3-chloro-5-fluoro-4-hydroxyphenyl)-5-phenyl-1H-pyrazol-4-yl]-N-hydroxypropanamide?
The InChIKey is RSGYWTUWNCMOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3O3/c19-13-8-11(9-14(20)18(13)25)17-12(6-7-15(24)23-26)16(21-22-17)10-4-2-1-3-5-10/h1-5,8-9,25-26H,6-7H2,(H,21,22)(H,23,24).
What are the key properties of 3-[3-(3-chloro-5-fluoro-4-hydroxyphenyl)-5-phenyl-1H-pyrazol-4-yl]-N-hydroxypropanamide?
3-[3-(3-chloro-5-fluoro-4-hydroxyphenyl)-5-phenyl-1H-pyrazol-4-yl]-N-hydroxypropanamide has a molecular weight of 375.79 g/mol, XLogP of 3.68, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-chloro-5-fluoro-4-hydroxyphenyl)-5-phenyl-1H-pyrazol-4-yl]-N-hydroxypropanamide is sourced from PubChem (CID 155390305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).