N-(4-chloro-2-hydroxyphenyl)-2-(5-methyl-1H-pyrazol-3-yl)acetamide

C12H12ClN3O2 — CID 75432261

IUPACN-(4-chloro-2-hydroxyphenyl)-2-(5-methyl-1H-pyrazol-3-yl)acetamide
SMILESCc1cc(CC(=O)Nc2ccc(Cl)cc2O)n[nH]1
InChIInChI=1S/C12H12ClN3O2/c1-7-4-9(16-15-7)6-12(18)14-10-3-2-8(13)5-11(10)17/h2-5,17H,6H2,1H3,(H,14,18)(H,15,16)
InChIKeyHSOLRHZLOOYKFQ-UHFFFAOYSA-N
MW265.70 g/mol
LogP2.26
Rot. Bonds3

About N-(4-chloro-2-hydroxyphenyl)-2-(5-methyl-1H-pyrazol-3-yl)acetamide

N-(4-chloro-2-hydroxyphenyl)-2-(5-methyl-1H-pyrazol-3-yl)acetamide (PubChem CID 75432261) has the molecular formula C12H12ClN3O2 and a molecular weight of 265.70 g/mol. Its IUPAC name is N-(4-chloro-2-hydroxyphenyl)-2-(5-methyl-1H-pyrazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-hydroxyphenyl)-2-(5-methyl-1H-pyrazol-3-yl)acetamide
PubChem CID75432261
Molecular FormulaC12H12ClN3O2
Molecular Weight265.70 g/mol
Exact Mass265.06
IUPAC NameN-(4-chloro-2-hydroxyphenyl)-2-(5-methyl-1H-pyrazol-3-yl)acetamide
SMILESCc1cc(CC(=O)Nc2ccc(Cl)cc2O)n[nH]1
InChIInChI=1S/C12H12ClN3O2/c1-7-4-9(16-15-7)6-12(18)14-10-3-2-8(13)5-11(10)17/h2-5,17H,6H2,1H3,(H,14,18)(H,15,16)
InChIKeyHSOLRHZLOOYKFQ-UHFFFAOYSA-N
XLogP2.26
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(2,4-dimethylphenyl)-2-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 110857186
N-(3-chloro-2-morpholin-4-ylphenyl)-2-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 167828485
N-(2H-benzotriazol-5-yl)-2-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 71918400
N-(2,4-dichlorophenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 110695352
3-chloro-N-(4-chloro-2-hydroxyphenyl)propanamide
CID 95909610
N-(3-fluorophenyl)-2-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 110862703
3-amino-N-(4-chloro-2-hydroxyphenyl)butanamide;hydrochloride
CID 120873520
N-(4-chloro-2-hydroxyphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 9350372
N-(4-chloro-2-hydroxyphenyl)-N'-hydroxyoctanediamide
CID 85469449
N-(4-chloro-2-hydroxyphenyl)-2,2-dimethylpropanamide
CID 14911507
2-(2-tert-butylbenzimidazol-1-yl)-N-(4-chloro-2-hydroxyphenyl)acetamide
CID 23008399
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 75435747

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-hydroxyphenyl)-2-(5-methyl-1H-pyrazol-3-yl)acetamide?
The IUPAC name of N-(4-chloro-2-hydroxyphenyl)-2-(5-methyl-1H-pyrazol-3-yl)acetamide (CID 75432261) is N-(4-chloro-2-hydroxyphenyl)-2-(5-methyl-1H-pyrazol-3-yl)acetamide.
What is the SMILES notation for N-(4-chloro-2-hydroxyphenyl)-2-(5-methyl-1H-pyrazol-3-yl)acetamide?
The canonical SMILES for N-(4-chloro-2-hydroxyphenyl)-2-(5-methyl-1H-pyrazol-3-yl)acetamide is Cc1cc(CC(=O)Nc2ccc(Cl)cc2O)n[nH]1.
What is the InChIKey of N-(4-chloro-2-hydroxyphenyl)-2-(5-methyl-1H-pyrazol-3-yl)acetamide?
The InChIKey is HSOLRHZLOOYKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2/c1-7-4-9(16-15-7)6-12(18)14-10-3-2-8(13)5-11(10)17/h2-5,17H,6H2,1H3,(H,14,18)(H,15,16).
What are the key properties of N-(4-chloro-2-hydroxyphenyl)-2-(5-methyl-1H-pyrazol-3-yl)acetamide?
N-(4-chloro-2-hydroxyphenyl)-2-(5-methyl-1H-pyrazol-3-yl)acetamide has a molecular weight of 265.70 g/mol, XLogP of 2.26, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-hydroxyphenyl)-2-(5-methyl-1H-pyrazol-3-yl)acetamide is sourced from PubChem (CID 75432261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).