4-bromo-N-(5-chloro-2-hydroxyphenyl)-1-methylpyrazole-3-carboxamide

C11H9BrClN3O2 — CID 19262709

IUPAC4-bromo-N-(5-chloro-2-hydroxyphenyl)-1-methylpyrazole-3-carboxamide
SMILESCn1cc(Br)c(C(=O)Nc2cc(Cl)ccc2O)n1
InChIInChI=1S/C11H9BrClN3O2/c1-16-5-7(12)10(15-16)11(18)14-8-4-6(13)2-3-9(8)17/h2-5,17H,1H3,(H,14,18)
InChIKeyLCDGGYAVRPKYLJ-UHFFFAOYSA-N
MW330.57 g/mol
LogP2.79
Rot. Bonds2

About 4-bromo-N-(5-chloro-2-hydroxyphenyl)-1-methylpyrazole-3-carboxamide

4-bromo-N-(5-chloro-2-hydroxyphenyl)-1-methylpyrazole-3-carboxamide (PubChem CID 19262709) has the molecular formula C11H9BrClN3O2 and a molecular weight of 330.57 g/mol. Its IUPAC name is 4-bromo-N-(5-chloro-2-hydroxyphenyl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(5-chloro-2-hydroxyphenyl)-1-methylpyrazole-3-carboxamide
PubChem CID19262709
Molecular FormulaC11H9BrClN3O2
Molecular Weight330.57 g/mol
Exact Mass328.96
IUPAC Name4-bromo-N-(5-chloro-2-hydroxyphenyl)-1-methylpyrazole-3-carboxamide
SMILESCn1cc(Br)c(C(=O)Nc2cc(Cl)ccc2O)n1
InChIInChI=1S/C11H9BrClN3O2/c1-16-5-7(12)10(15-16)11(18)14-8-4-6(13)2-3-9(8)17/h2-5,17H,1H3,(H,14,18)
InChIKeyLCDGGYAVRPKYLJ-UHFFFAOYSA-N
XLogP2.79
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.57
LogP ≤ 52.79
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

4-bromo-N-[(5-chloro-2-hydroxyphenyl)methylideneamino]-1-methylpyrazole-3-carboxamide
CID 1275458
4-bromo-N-(2,5-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 19262777
4-amino-N-(5-chloro-2-fluorophenyl)-1-methylpyrazole-3-carboxamide
CID 65355117
4-bromo-N-(2,5-dichlorophenyl)-1-ethylpyrazole-3-carboxamide
CID 1210310
4-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 3404956
4-bromo-N-(2,3-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 19262689
2-[(4-bromo-1-methylpyrazole-3-carbonyl)amino]benzoic acid
CID 1214119
4-bromo-N-(3,5-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 903278
2-[(4-bromo-1-methylpyrazole-3-carbonyl)amino]benzoate
CID 7067902
4-bromo-N-(3,4-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 835667
1-N,3-N,5-N-tris(5-chloro-2-hydroxyphenyl)benzene-1,3,5-tricarboxamide
CID 57074099
3-bromo-N-(5-chloro-2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19462067

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(5-chloro-2-hydroxyphenyl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of 4-bromo-N-(5-chloro-2-hydroxyphenyl)-1-methylpyrazole-3-carboxamide (CID 19262709) is 4-bromo-N-(5-chloro-2-hydroxyphenyl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-N-(5-chloro-2-hydroxyphenyl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-N-(5-chloro-2-hydroxyphenyl)-1-methylpyrazole-3-carboxamide is Cn1cc(Br)c(C(=O)Nc2cc(Cl)ccc2O)n1.
What is the InChIKey of 4-bromo-N-(5-chloro-2-hydroxyphenyl)-1-methylpyrazole-3-carboxamide?
The InChIKey is LCDGGYAVRPKYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrClN3O2/c1-16-5-7(12)10(15-16)11(18)14-8-4-6(13)2-3-9(8)17/h2-5,17H,1H3,(H,14,18).
What are the key properties of 4-bromo-N-(5-chloro-2-hydroxyphenyl)-1-methylpyrazole-3-carboxamide?
4-bromo-N-(5-chloro-2-hydroxyphenyl)-1-methylpyrazole-3-carboxamide has a molecular weight of 330.57 g/mol, XLogP of 2.79, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(5-chloro-2-hydroxyphenyl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 19262709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).