3-(4-bromophenyl)-1-(4-chlorophenyl)pyrazol-4-amine

C15H11BrClN3 — CID 83216722

IUPAC3-(4-bromophenyl)-1-(4-chlorophenyl)pyrazol-4-amine
SMILESNc1cn(-c2ccc(Cl)cc2)nc1-c1ccc(Br)cc1
InChIInChI=1S/C15H11BrClN3/c16-11-3-1-10(2-4-11)15-14(18)9-20(19-15)13-7-5-12(17)6-8-13/h1-9H,18H2
InChIKeyHVZHTNZSWLSIMW-UHFFFAOYSA-N
MW348.63 g/mol
LogP4.54
Rot. Bonds2

About 3-(4-bromophenyl)-1-(4-chlorophenyl)pyrazol-4-amine

3-(4-bromophenyl)-1-(4-chlorophenyl)pyrazol-4-amine (PubChem CID 83216722) has the molecular formula C15H11BrClN3 and a molecular weight of 348.63 g/mol. Its IUPAC name is 3-(4-bromophenyl)-1-(4-chlorophenyl)pyrazol-4-amine.

Molecular Properties

Compound Name3-(4-bromophenyl)-1-(4-chlorophenyl)pyrazol-4-amine
PubChem CID83216722
Molecular FormulaC15H11BrClN3
Molecular Weight348.63 g/mol
Exact Mass346.98
IUPAC Name3-(4-bromophenyl)-1-(4-chlorophenyl)pyrazol-4-amine
SMILESNc1cn(-c2ccc(Cl)cc2)nc1-c1ccc(Br)cc1
InChIInChI=1S/C15H11BrClN3/c16-11-3-1-10(2-4-11)15-14(18)9-20(19-15)13-7-5-12(17)6-8-13/h1-9H,18H2
InChIKeyHVZHTNZSWLSIMW-UHFFFAOYSA-N
XLogP4.54
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.63
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-bromophenyl)-1-(4-chlorophenyl)pyrazol-4-amine 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

3-(4-bromophenyl)-1-(4-methylphenyl)pyrazol-4-amine
CID 83217202
3-(4-chlorophenyl)-1-(3,4-dichlorophenyl)pyrazol-4-amine
CID 83204665
3-(4-bromophenyl)-1-(4-methoxyphenyl)pyrazol-4-amine
CID 83205030
1-(4-chlorophenyl)-3-(3-fluoro-4-methylphenyl)pyrazol-4-amine
CID 83203236
3-(4-bromophenyl)-1-(4-chlorophenyl)pyrazole-4-carbonitrile
CID 42624866
3-(4-bromophenyl)-1-(3,5-dimethylphenyl)pyrazol-4-amine
CID 83203402
3-(2-bromophenyl)-1-(4-bromophenyl)pyrazol-4-amine
CID 83223081
1-(4-chlorophenyl)-3-(2,6-difluorophenyl)pyrazol-4-amine
CID 83205335
1-(2-bromophenyl)-3-(4-bromophenyl)pyrazol-4-amine
CID 83222311
1-(4-bromophenyl)-3-(1,3-dimethylpyrazol-4-yl)pyrazol-4-amine
CID 83222401
3-(5-bromo-2-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-amine
CID 83205205
3-(5-bromo-2-fluorophenyl)-1-(4-fluorophenyl)pyrazol-4-amine
CID 83205248

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-1-(4-chlorophenyl)pyrazol-4-amine?
The IUPAC name of 3-(4-bromophenyl)-1-(4-chlorophenyl)pyrazol-4-amine (CID 83216722) is 3-(4-bromophenyl)-1-(4-chlorophenyl)pyrazol-4-amine.
What is the SMILES notation for 3-(4-bromophenyl)-1-(4-chlorophenyl)pyrazol-4-amine?
The canonical SMILES for 3-(4-bromophenyl)-1-(4-chlorophenyl)pyrazol-4-amine is Nc1cn(-c2ccc(Cl)cc2)nc1-c1ccc(Br)cc1.
What is the InChIKey of 3-(4-bromophenyl)-1-(4-chlorophenyl)pyrazol-4-amine?
The InChIKey is HVZHTNZSWLSIMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClN3/c16-11-3-1-10(2-4-11)15-14(18)9-20(19-15)13-7-5-12(17)6-8-13/h1-9H,18H2.
What are the key properties of 3-(4-bromophenyl)-1-(4-chlorophenyl)pyrazol-4-amine?
3-(4-bromophenyl)-1-(4-chlorophenyl)pyrazol-4-amine has a molecular weight of 348.63 g/mol, XLogP of 4.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-1-(4-chlorophenyl)pyrazol-4-amine is sourced from PubChem (CID 83216722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).