5-bromo-1-(3-chlorophenyl)-4-methoxypyrazole

C10H8BrClN2O — CID 117232915

IUPAC5-bromo-1-(3-chlorophenyl)-4-methoxypyrazole
SMILESCOc1cnn(-c2cccc(Cl)c2)c1Br
InChIInChI=1S/C10H8BrClN2O/c1-15-9-6-13-14(10(9)11)8-4-2-3-7(12)5-8/h2-6H,1H3
InChIKeyUYFPJTLJFSFZEN-UHFFFAOYSA-N
MW287.54 g/mol
LogP3.30
Rot. Bonds2

About 5-bromo-1-(3-chlorophenyl)-4-methoxypyrazole

5-bromo-1-(3-chlorophenyl)-4-methoxypyrazole (PubChem CID 117232915) has the molecular formula C10H8BrClN2O and a molecular weight of 287.54 g/mol. Its IUPAC name is 5-bromo-1-(3-chlorophenyl)-4-methoxypyrazole.

Molecular Properties

Compound Name5-bromo-1-(3-chlorophenyl)-4-methoxypyrazole
PubChem CID117232915
Molecular FormulaC10H8BrClN2O
Molecular Weight287.54 g/mol
Exact Mass285.95
IUPAC Name5-bromo-1-(3-chlorophenyl)-4-methoxypyrazole
SMILESCOc1cnn(-c2cccc(Cl)c2)c1Br
InChIInChI=1S/C10H8BrClN2O/c1-15-9-6-13-14(10(9)11)8-4-2-3-7(12)5-8/h2-6H,1H3
InChIKeyUYFPJTLJFSFZEN-UHFFFAOYSA-N
XLogP3.30
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.54
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(3-chlorophenyl)-5-methoxypyrazol-4-yl]acetic acid
CID 115069043
2-(3-chlorophenyl)-7,8-dimethoxyphthalazin-1-one
CID 17466640
1-(3-chlorophenyl)-5-methoxypyrazole-4-carboxylic acid
CID 115069036
N-(5-bromo-2-methoxyphenyl)-1-(3-chlorophenyl)-5-methylpyrazole-4-carboxamide
CID 55905390
5-chloro-4-methoxy-1-phenylpyrazole
CID 117232898
5-chloro-2-(3-chlorophenyl)-4-(4-methoxyphenoxy)pyridazin-3-one
CID 46846317
5-chloro-1-(3-chlorophenyl)-4-cyclohexyloxypyrazole
CID 117232891
[5-bromo-1-(3-methoxyphenyl)pyrazol-4-yl]methanamine
CID 115051851
1-(4-bromophenyl)-5-chloro-4-methoxypyrazole
CID 117233068
4-methoxy-1-(3-methoxyphenyl)pyrazole-5-carboxylic acid
CID 117232958
2-[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]ethanamine
CID 82291485
1-(3-chlorophenyl)-4-methyl-5-pyrrol-1-ylpyrazole
CID 22087311

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(3-chlorophenyl)-4-methoxypyrazole?
The IUPAC name of 5-bromo-1-(3-chlorophenyl)-4-methoxypyrazole (CID 117232915) is 5-bromo-1-(3-chlorophenyl)-4-methoxypyrazole.
What is the SMILES notation for 5-bromo-1-(3-chlorophenyl)-4-methoxypyrazole?
The canonical SMILES for 5-bromo-1-(3-chlorophenyl)-4-methoxypyrazole is COc1cnn(-c2cccc(Cl)c2)c1Br.
What is the InChIKey of 5-bromo-1-(3-chlorophenyl)-4-methoxypyrazole?
The InChIKey is UYFPJTLJFSFZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClN2O/c1-15-9-6-13-14(10(9)11)8-4-2-3-7(12)5-8/h2-6H,1H3.
What are the key properties of 5-bromo-1-(3-chlorophenyl)-4-methoxypyrazole?
5-bromo-1-(3-chlorophenyl)-4-methoxypyrazole has a molecular weight of 287.54 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(3-chlorophenyl)-4-methoxypyrazole is sourced from PubChem (CID 117232915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).