1-(4-bromophenyl)-5-chloro-4-methoxypyrazole

C10H8BrClN2O — CID 117233068

IUPAC1-(4-bromophenyl)-5-chloro-4-methoxypyrazole
SMILESCOc1cnn(-c2ccc(Br)cc2)c1Cl
InChIInChI=1S/C10H8BrClN2O/c1-15-9-6-13-14(10(9)12)8-4-2-7(11)3-5-8/h2-6H,1H3
InChIKeyWVHKRUVAMJBPRL-UHFFFAOYSA-N
MW287.54 g/mol
LogP3.30
Rot. Bonds2

About 1-(4-bromophenyl)-5-chloro-4-methoxypyrazole

1-(4-bromophenyl)-5-chloro-4-methoxypyrazole (PubChem CID 117233068) has the molecular formula C10H8BrClN2O and a molecular weight of 287.54 g/mol. Its IUPAC name is 1-(4-bromophenyl)-5-chloro-4-methoxypyrazole.

Molecular Properties

Compound Name1-(4-bromophenyl)-5-chloro-4-methoxypyrazole
PubChem CID117233068
Molecular FormulaC10H8BrClN2O
Molecular Weight287.54 g/mol
Exact Mass285.95
IUPAC Name1-(4-bromophenyl)-5-chloro-4-methoxypyrazole
SMILESCOc1cnn(-c2ccc(Br)cc2)c1Cl
InChIInChI=1S/C10H8BrClN2O/c1-15-9-6-13-14(10(9)12)8-4-2-7(11)3-5-8/h2-6H,1H3
InChIKeyWVHKRUVAMJBPRL-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

Analyze 1-(4-bromophenyl)-5-chloro-4-methoxypyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-4-methoxy-1-phenylpyrazole
CID 117232898
4-(5-chloro-4-methoxypyrazol-1-yl)pyridine
CID 117233278
4-bromo-5-chloro-1-(4-methylphenyl)pyrazole
CID 115050545
1-(4-chlorophenyl)-4-methoxypyrazole-5-carboxylic acid
CID 117233107
5-bromo-1-(3-chlorophenyl)-4-methoxypyrazole
CID 117232915
4-bromo-2-(4-fluorophenyl)-5-methoxypyridazin-3-one
CID 1487494
4-chloro-5-methoxy-2-(4-methylsulfanylphenyl)pyridazin-3-one
CID 142673833
5-bromo-1-(4-bromophenyl)pyrazole
CID 79020245
5-chloro-1-(4-chlorophenyl)-4-methylpyrazole
CID 20686663
1-(4-bromophenyl)-5-ethyl-4-methylpyrazole
CID 166934661
1-(4-bromophenyl)-N-(2,5-dimethoxyphenyl)-5-methylpyrazole-4-carboxamide
CID 31940513
4-methoxy-1-(4-methoxyphenyl)pyrazole-5-carboxylic acid
CID 117233112

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-5-chloro-4-methoxypyrazole?
The IUPAC name of 1-(4-bromophenyl)-5-chloro-4-methoxypyrazole (CID 117233068) is 1-(4-bromophenyl)-5-chloro-4-methoxypyrazole.
What is the SMILES notation for 1-(4-bromophenyl)-5-chloro-4-methoxypyrazole?
The canonical SMILES for 1-(4-bromophenyl)-5-chloro-4-methoxypyrazole is COc1cnn(-c2ccc(Br)cc2)c1Cl.
What is the InChIKey of 1-(4-bromophenyl)-5-chloro-4-methoxypyrazole?
The InChIKey is WVHKRUVAMJBPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClN2O/c1-15-9-6-13-14(10(9)12)8-4-2-7(11)3-5-8/h2-6H,1H3.
What are the key properties of 1-(4-bromophenyl)-5-chloro-4-methoxypyrazole?
1-(4-bromophenyl)-5-chloro-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 1-(4-bromophenyl)-5-chloro-4-methoxypyrazole is sourced from PubChem (CID 117233068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).