4-[5-(4-chlorophenyl)-4-hydroxy-1H-pyrazol-3-yl]-N-hydroxybenzamide

C16H12ClN3O3 — CID 170556894

IUPAC4-[5-(4-chlorophenyl)-4-hydroxy-1H-pyrazol-3-yl]-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(-c2n[nH]c(-c3ccc(Cl)cc3)c2O)cc1
InChIInChI=1S/C16H12ClN3O3/c17-12-7-5-10(6-8-12)14-15(21)13(18-19-14)9-1-3-11(4-2-9)16(22)20-23/h1-8,21,23H,(H,18,19)(H,20,22)
InChIKeyNBZFLKSMJVJWLK-UHFFFAOYSA-N
MW329.74 g/mol
LogP3.22
Rot. Bonds3

About 4-[5-(4-chlorophenyl)-4-hydroxy-1H-pyrazol-3-yl]-N-hydroxybenzamide

4-[5-(4-chlorophenyl)-4-hydroxy-1H-pyrazol-3-yl]-N-hydroxybenzamide (PubChem CID 170556894) has the molecular formula C16H12ClN3O3 and a molecular weight of 329.74 g/mol. Its IUPAC name is 4-[5-(4-chlorophenyl)-4-hydroxy-1H-pyrazol-3-yl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[5-(4-chlorophenyl)-4-hydroxy-1H-pyrazol-3-yl]-N-hydroxybenzamide
PubChem CID170556894
Molecular FormulaC16H12ClN3O3
Molecular Weight329.74 g/mol
Exact Mass329.06
IUPAC Name4-[5-(4-chlorophenyl)-4-hydroxy-1H-pyrazol-3-yl]-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(-c2n[nH]c(-c3ccc(Cl)cc3)c2O)cc1
InChIInChI=1S/C16H12ClN3O3/c17-12-7-5-10(6-8-12)14-15(21)13(18-19-14)9-1-3-11(4-2-9)16(22)20-23/h1-8,21,23H,(H,18,19)(H,20,22)
InChIKeyNBZFLKSMJVJWLK-UHFFFAOYSA-N
XLogP3.22
TPSA98.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.74
LogP ≤ 53.22
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'}

Analyze 4-[5-(4-chlorophenyl)-4-hydroxy-1H-pyrazol-3-yl]-N-hydroxybenzamide 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

4-chloro-N-hydroxybenzamide
CID 587178
5-(2,4-dichlorophenyl)-3-phenyl-1H-pyrazol-4-ol
CID 170556882
4-chloro-3-(4-chlorophenyl)-1H-pyrazole-5-carboxylic acid
CID 56762534
4-(4-chlorophenyl)benzoyl iodide
CID 90184448
4-chloro-N-[5-propyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]benzamide
CID 42686565
N-[2-amino-4-(4-fluorophenyl)-1,3-thiazol-5-yl]-4-chlorobenzamide
CID 51065363
N'-(4-chlorobenzoyl)-4-pyridin-4-ylbenzohydrazide
CID 58858336
[[4-amino-3-(4-chlorophenyl)-1H-pyrazole-5-carbonyl]amino]thiourea
CID 127026644
3-(4-chlorophenyl)-4-methyl-1H-pyridazin-6-one
CID 14666394
N-[2-amino-4-(4-methylphenyl)-1,3-thiazol-5-yl]-4-chlorobenzamide
CID 35673976
4-[2-[4-(4-chlorophenyl)phenyl]propoxy]-N-hydroxybenzamide
CID 89311751
N-(4-chlorobenzoyl)-4-methylbenzamide
CID 122212331

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-chlorophenyl)-4-hydroxy-1H-pyrazol-3-yl]-N-hydroxybenzamide?
The IUPAC name of 4-[5-(4-chlorophenyl)-4-hydroxy-1H-pyrazol-3-yl]-N-hydroxybenzamide (CID 170556894) is 4-[5-(4-chlorophenyl)-4-hydroxy-1H-pyrazol-3-yl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[5-(4-chlorophenyl)-4-hydroxy-1H-pyrazol-3-yl]-N-hydroxybenzamide?
The canonical SMILES for 4-[5-(4-chlorophenyl)-4-hydroxy-1H-pyrazol-3-yl]-N-hydroxybenzamide is O=C(NO)c1ccc(-c2n[nH]c(-c3ccc(Cl)cc3)c2O)cc1.
What is the InChIKey of 4-[5-(4-chlorophenyl)-4-hydroxy-1H-pyrazol-3-yl]-N-hydroxybenzamide?
The InChIKey is NBZFLKSMJVJWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O3/c17-12-7-5-10(6-8-12)14-15(21)13(18-19-14)9-1-3-11(4-2-9)16(22)20-23/h1-8,21,23H,(H,18,19)(H,20,22).
What are the key properties of 4-[5-(4-chlorophenyl)-4-hydroxy-1H-pyrazol-3-yl]-N-hydroxybenzamide?
4-[5-(4-chlorophenyl)-4-hydroxy-1H-pyrazol-3-yl]-N-hydroxybenzamide has a molecular weight of 329.74 g/mol, XLogP of 3.22, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-chlorophenyl)-4-hydroxy-1H-pyrazol-3-yl]-N-hydroxybenzamide is sourced from PubChem (CID 170556894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).