2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(5-chloro-2-hydroxyphenyl)acetamide

C13H13BrClN3O2 — CID 19525429

IUPAC2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(5-chloro-2-hydroxyphenyl)acetamide
SMILESCc1nn(CC(=O)Nc2cc(Cl)ccc2O)c(C)c1Br
InChIInChI=1S/C13H13BrClN3O2/c1-7-13(14)8(2)18(17-7)6-12(20)16-10-5-9(15)3-4-11(10)19/h3-5,19H,6H2,1-2H3,(H,16,20)
InChIKeyGCPGLUWOVMSHQY-UHFFFAOYSA-N
MW358.62 g/mol
LogP3.26
Rot. Bonds3

About 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(5-chloro-2-hydroxyphenyl)acetamide

2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(5-chloro-2-hydroxyphenyl)acetamide (PubChem CID 19525429) has the molecular formula C13H13BrClN3O2 and a molecular weight of 358.62 g/mol. Its IUPAC name is 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(5-chloro-2-hydroxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(5-chloro-2-hydroxyphenyl)acetamide
PubChem CID19525429
Molecular FormulaC13H13BrClN3O2
Molecular Weight358.62 g/mol
Exact Mass356.99
IUPAC Name2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(5-chloro-2-hydroxyphenyl)acetamide
SMILESCc1nn(CC(=O)Nc2cc(Cl)ccc2O)c(C)c1Br
InChIInChI=1S/C13H13BrClN3O2/c1-7-13(14)8(2)18(17-7)6-12(20)16-10-5-9(15)3-4-11(10)19/h3-5,19H,6H2,1-2H3,(H,16,20)
InChIKeyGCPGLUWOVMSHQY-UHFFFAOYSA-N
XLogP3.26
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.62
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-benzoyl-4-chlorophenyl)-2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetamide
CID 19525433
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide
CID 19525421
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-[(3-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetamide
CID 19525621
N-(5-amino-2-methylphenyl)-2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetamide
CID 62057473
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]acetamide
CID 19525593
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(3-hydroxyphenyl)acetamide
CID 19525702
N-(5-chloro-2-hydroxyphenyl)-2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 56581409
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(5-chloro-2-hydroxyphenyl)acetamide
CID 19518008
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(5-chloro-2-methylphenyl)-2-methylpropanamide
CID 19564210
N-[5-chloro-2-(dimethylamino)phenyl]-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetamide
CID 131944002
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)acetamide
CID 15943425
N-(5-amino-2-fluorophenyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide
CID 62129491

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(5-chloro-2-hydroxyphenyl)acetamide?
The IUPAC name of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(5-chloro-2-hydroxyphenyl)acetamide (CID 19525429) is 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(5-chloro-2-hydroxyphenyl)acetamide.
What is the SMILES notation for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(5-chloro-2-hydroxyphenyl)acetamide?
The canonical SMILES for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(5-chloro-2-hydroxyphenyl)acetamide is Cc1nn(CC(=O)Nc2cc(Cl)ccc2O)c(C)c1Br.
What is the InChIKey of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(5-chloro-2-hydroxyphenyl)acetamide?
The InChIKey is GCPGLUWOVMSHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClN3O2/c1-7-13(14)8(2)18(17-7)6-12(20)16-10-5-9(15)3-4-11(10)19/h3-5,19H,6H2,1-2H3,(H,16,20).
What are the key properties of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(5-chloro-2-hydroxyphenyl)acetamide?
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(5-chloro-2-hydroxyphenyl)acetamide has a molecular weight of 358.62 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(5-chloro-2-hydroxyphenyl)acetamide is sourced from PubChem (CID 19525429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).