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

C17H13ClFN3O3 — CID 155737883

IUPAC2-[5-(4-chloro-2-fluoro-3-hydroxyphenyl)-3-phenyl-1H-pyrazol-4-yl]-N-hydroxyacetamide
SMILESO=C(Cc1c(-c2ccccc2)n[nH]c1-c1ccc(Cl)c(O)c1F)NO
InChIInChI=1S/C17H13ClFN3O3/c18-12-7-6-10(14(19)17(12)24)16-11(8-13(23)22-25)15(20-21-16)9-4-2-1-3-5-9/h1-7,24-25H,8H2,(H,20,21)(H,22,23)
InChIKeyKJJJOCPCTWWLJR-UHFFFAOYSA-N
MW361.76 g/mol
LogP3.29
Rot. Bonds4

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

2-[5-(4-chloro-2-fluoro-3-hydroxyphenyl)-3-phenyl-1H-pyrazol-4-yl]-N-hydroxyacetamide (PubChem CID 155737883) has the molecular formula C17H13ClFN3O3 and a molecular weight of 361.76 g/mol. Its IUPAC name is 2-[5-(4-chloro-2-fluoro-3-hydroxyphenyl)-3-phenyl-1H-pyrazol-4-yl]-N-hydroxyacetamide.

Molecular Properties

Compound Name2-[5-(4-chloro-2-fluoro-3-hydroxyphenyl)-3-phenyl-1H-pyrazol-4-yl]-N-hydroxyacetamide
PubChem CID155737883
Molecular FormulaC17H13ClFN3O3
Molecular Weight361.76 g/mol
Exact Mass361.06
IUPAC Name2-[5-(4-chloro-2-fluoro-3-hydroxyphenyl)-3-phenyl-1H-pyrazol-4-yl]-N-hydroxyacetamide
SMILESO=C(Cc1c(-c2ccccc2)n[nH]c1-c1ccc(Cl)c(O)c1F)NO
InChIInChI=1S/C17H13ClFN3O3/c18-12-7-6-10(14(19)17(12)24)16-11(8-13(23)22-25)15(20-21-16)9-4-2-1-3-5-9/h1-7,24-25H,8H2,(H,20,21)(H,22,23)
InChIKeyKJJJOCPCTWWLJR-UHFFFAOYSA-N
XLogP3.29
TPSA98.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.76
LogP ≤ 53.29
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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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chloro-2-fluoro-3-hydroxyphenyl)-3-phenyl-1H-pyrazol-4-yl]-N-hydroxyacetamide?
The IUPAC name of 2-[5-(4-chloro-2-fluoro-3-hydroxyphenyl)-3-phenyl-1H-pyrazol-4-yl]-N-hydroxyacetamide (CID 155737883) is 2-[5-(4-chloro-2-fluoro-3-hydroxyphenyl)-3-phenyl-1H-pyrazol-4-yl]-N-hydroxyacetamide.
What is the SMILES notation for 2-[5-(4-chloro-2-fluoro-3-hydroxyphenyl)-3-phenyl-1H-pyrazol-4-yl]-N-hydroxyacetamide?
The canonical SMILES for 2-[5-(4-chloro-2-fluoro-3-hydroxyphenyl)-3-phenyl-1H-pyrazol-4-yl]-N-hydroxyacetamide is O=C(Cc1c(-c2ccccc2)n[nH]c1-c1ccc(Cl)c(O)c1F)NO.
What is the InChIKey of 2-[5-(4-chloro-2-fluoro-3-hydroxyphenyl)-3-phenyl-1H-pyrazol-4-yl]-N-hydroxyacetamide?
The InChIKey is KJJJOCPCTWWLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFN3O3/c18-12-7-6-10(14(19)17(12)24)16-11(8-13(23)22-25)15(20-21-16)9-4-2-1-3-5-9/h1-7,24-25H,8H2,(H,20,21)(H,22,23).
What are the key properties of 2-[5-(4-chloro-2-fluoro-3-hydroxyphenyl)-3-phenyl-1H-pyrazol-4-yl]-N-hydroxyacetamide?
2-[5-(4-chloro-2-fluoro-3-hydroxyphenyl)-3-phenyl-1H-pyrazol-4-yl]-N-hydroxyacetamide has a molecular weight of 361.76 g/mol, XLogP of 3.29, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-chloro-2-fluoro-3-hydroxyphenyl)-3-phenyl-1H-pyrazol-4-yl]-N-hydroxyacetamide is sourced from PubChem (CID 155737883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).