5-(4-chlorophenyl)-N-hydroxy-4-[2-(2-hydroxyethyl)pyrazol-3-yl]-3-methoxypentanamide

C17H22ClN3O4 — CID 155409664

IUPAC5-(4-chlorophenyl)-N-hydroxy-4-[2-(2-hydroxyethyl)pyrazol-3-yl]-3-methoxypentanamide
SMILESCOC(CC(=O)NO)C(Cc1ccc(Cl)cc1)c1ccnn1CCO
InChIInChI=1S/C17H22ClN3O4/c1-25-16(11-17(23)20-24)14(10-12-2-4-13(18)5-3-12)15-6-7-19-21(15)8-9-22/h2-7,14,16,22,24H,8-11H2,1H3,(H,20,23)
InChIKeyPWSFKHMCEVZYQM-UHFFFAOYSA-N
MW367.83 g/mol
LogP1.77
Rot. Bonds9

About 5-(4-chlorophenyl)-N-hydroxy-4-[2-(2-hydroxyethyl)pyrazol-3-yl]-3-methoxypentanamide

5-(4-chlorophenyl)-N-hydroxy-4-[2-(2-hydroxyethyl)pyrazol-3-yl]-3-methoxypentanamide (PubChem CID 155409664) has the molecular formula C17H22ClN3O4 and a molecular weight of 367.83 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-hydroxy-4-[2-(2-hydroxyethyl)pyrazol-3-yl]-3-methoxypentanamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-hydroxy-4-[2-(2-hydroxyethyl)pyrazol-3-yl]-3-methoxypentanamide
PubChem CID155409664
Molecular FormulaC17H22ClN3O4
Molecular Weight367.83 g/mol
Exact Mass367.13
IUPAC Name5-(4-chlorophenyl)-N-hydroxy-4-[2-(2-hydroxyethyl)pyrazol-3-yl]-3-methoxypentanamide
SMILESCOC(CC(=O)NO)C(Cc1ccc(Cl)cc1)c1ccnn1CCO
InChIInChI=1S/C17H22ClN3O4/c1-25-16(11-17(23)20-24)14(10-12-2-4-13(18)5-3-12)15-6-7-19-21(15)8-9-22/h2-7,14,16,22,24H,8-11H2,1H3,(H,20,23)
InChIKeyPWSFKHMCEVZYQM-UHFFFAOYSA-N
XLogP1.77
TPSA96.61 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.83
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

(3R,4R)-5-(4-chlorophenyl)-4-(2-cyclobutylpyrazol-3-yl)-N-hydroxy-3-methoxypentanamide;(3R,4R)-5-(4-chlorophenyl)-4-(2-cyclohexylpyrazol-3-yl)-N-hydroxy-3-methoxypentanamide;(3R,4R)-5-(4-chlorophenyl)-4-(2-cyclopropylpyrazol-3-yl)-N-hydroxy-3-methoxypentanamide;(3R,4R)-5-(4-chlorophenyl)-4-[2-(1,3-dimethoxypropan-2-yl)pyrazol-3-yl]-N-hydroxy-3-methoxypentanamide;(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]pentanamide
CID 162186101
5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(3,4,5-trifluorophenyl)pentanamide
CID 163942617
(3R,4R)-4-(1-benzylpyrazol-3-yl)-5-(4-chlorophenyl)-N-hydroxy-3-methoxypentanamide;2,2,2-trifluoroacetic acid
CID 155409622
(3R,4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(2,3,4,5-tetrafluorophenyl)pentanamide
CID 122623397
(4R)-5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-[4-(morpholine-4-carbonyl)phenyl]pentanamide
CID 145170986
5-(4-chlorophenyl)-3-ethoxy-N-hydroxy-4-[4-[2-hydroxyethyl(methyl)amino]phenyl]pentanamide
CID 163539711
5-(4-chlorophenyl)-4-(2,4-difluorophenyl)-3-ethoxy-N-hydroxypentanamide
CID 145170995
tert-butyl 4-[[4-[(2R,3R)-1-(4-chlorophenyl)-3-ethoxy-5-(hydroxyamino)-5-oxopentan-2-yl]phenyl]methyl]piperazine-1-carboxylate
CID 122623402
(3R,4R)-4-(4-bromo-2-fluorophenyl)-5-(4-chloro-2-methylphenyl)-N-hydroxy-3-methoxypentanamide
CID 122623366
2-[(4-chlorophenyl)methyl]pyrazole-3-carboxylic acid
CID 60780144
methyl 3-chloro-4-(4-chlorophenyl)butanoate
CID 82352044
methyl (2R)-3-(4-chlorophenyl)-2-isocyanopropanoate
CID 97291393

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-hydroxy-4-[2-(2-hydroxyethyl)pyrazol-3-yl]-3-methoxypentanamide?
The IUPAC name of 5-(4-chlorophenyl)-N-hydroxy-4-[2-(2-hydroxyethyl)pyrazol-3-yl]-3-methoxypentanamide (CID 155409664) is 5-(4-chlorophenyl)-N-hydroxy-4-[2-(2-hydroxyethyl)pyrazol-3-yl]-3-methoxypentanamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-hydroxy-4-[2-(2-hydroxyethyl)pyrazol-3-yl]-3-methoxypentanamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-hydroxy-4-[2-(2-hydroxyethyl)pyrazol-3-yl]-3-methoxypentanamide is COC(CC(=O)NO)C(Cc1ccc(Cl)cc1)c1ccnn1CCO.
What is the InChIKey of 5-(4-chlorophenyl)-N-hydroxy-4-[2-(2-hydroxyethyl)pyrazol-3-yl]-3-methoxypentanamide?
The InChIKey is PWSFKHMCEVZYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O4/c1-25-16(11-17(23)20-24)14(10-12-2-4-13(18)5-3-12)15-6-7-19-21(15)8-9-22/h2-7,14,16,22,24H,8-11H2,1H3,(H,20,23).
What are the key properties of 5-(4-chlorophenyl)-N-hydroxy-4-[2-(2-hydroxyethyl)pyrazol-3-yl]-3-methoxypentanamide?
5-(4-chlorophenyl)-N-hydroxy-4-[2-(2-hydroxyethyl)pyrazol-3-yl]-3-methoxypentanamide has a molecular weight of 367.83 g/mol, XLogP of 1.77, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-hydroxy-4-[2-(2-hydroxyethyl)pyrazol-3-yl]-3-methoxypentanamide is sourced from PubChem (CID 155409664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).