4-(3-bromophenyl)-3-(2-iodophenyl)-1-methylpyrazol-5-amine

C16H13BrIN3 — CID 43560840

IUPAC4-(3-bromophenyl)-3-(2-iodophenyl)-1-methylpyrazol-5-amine
SMILESCn1nc(-c2ccccc2I)c(-c2cccc(Br)c2)c1N
InChIInChI=1S/C16H13BrIN3/c1-21-16(19)14(10-5-4-6-11(17)9-10)15(20-21)12-7-2-3-8-13(12)18/h2-9H,19H2,1H3
InChIKeyHPSSUHAMBNQZFZ-UHFFFAOYSA-N
MW454.11 g/mol
LogP4.70
Rot. Bonds2

About 4-(3-bromophenyl)-3-(2-iodophenyl)-1-methylpyrazol-5-amine

4-(3-bromophenyl)-3-(2-iodophenyl)-1-methylpyrazol-5-amine (PubChem CID 43560840) has the molecular formula C16H13BrIN3 and a molecular weight of 454.11 g/mol. Its IUPAC name is 4-(3-bromophenyl)-3-(2-iodophenyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-(3-bromophenyl)-3-(2-iodophenyl)-1-methylpyrazol-5-amine
PubChem CID43560840
Molecular FormulaC16H13BrIN3
Molecular Weight454.11 g/mol
Exact Mass452.93
IUPAC Name4-(3-bromophenyl)-3-(2-iodophenyl)-1-methylpyrazol-5-amine
SMILESCn1nc(-c2ccccc2I)c(-c2cccc(Br)c2)c1N
InChIInChI=1S/C16H13BrIN3/c1-21-16(19)14(10-5-4-6-11(17)9-10)15(20-21)12-7-2-3-8-13(12)18/h2-9H,19H2,1H3
InChIKeyHPSSUHAMBNQZFZ-UHFFFAOYSA-N
XLogP4.70
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.11
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(3-bromophenyl)-3-(2-iodophenyl)-1-methylpyrazol-5-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-(2-iodophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-amine
CID 80524493
4-(3-bromophenyl)-3-(3-fluorophenyl)-1-methylpyrazol-5-amine
CID 43560827
3-(3-bromophenyl)-4-(3-fluorophenyl)-1-methylpyrazol-5-amine
CID 43158704
4-(3-bromophenyl)-1-methyl-3-pyrimidin-5-ylpyrazol-5-amine
CID 102921955
4-(3-bromophenyl)-1-methyl-3-pyridin-3-ylpyrazol-5-amine
CID 43560795
3-(4-bromo-2-methylphenyl)-1-methyl-4-phenylpyrazol-5-amine
CID 43629973
3-(3-bromophenyl)-4-(4-fluorophenyl)-1-methylpyrazol-5-amine
CID 43336493
4-(3-bromophenyl)-3-(5-fluoro-3-pyridinyl)-1-methylpyrazol-5-amine
CID 104785963
3-(2,3-dimethylphenyl)-1-methyl-4-phenylpyrazol-5-amine
CID 43336371
4-(4-bromophenyl)-3-(2-fluorophenyl)-1-methylpyrazol-5-amine
CID 43336413
3-(2-bromo-5-fluorophenyl)-1-methyl-4-phenylpyrazol-5-amine
CID 43336374
3-(5-iodothiophen-3-yl)-1-methyl-4-phenylpyrazol-5-amine
CID 79693966

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-3-(2-iodophenyl)-1-methylpyrazol-5-amine?
The IUPAC name of 4-(3-bromophenyl)-3-(2-iodophenyl)-1-methylpyrazol-5-amine (CID 43560840) is 4-(3-bromophenyl)-3-(2-iodophenyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-(3-bromophenyl)-3-(2-iodophenyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 4-(3-bromophenyl)-3-(2-iodophenyl)-1-methylpyrazol-5-amine is Cn1nc(-c2ccccc2I)c(-c2cccc(Br)c2)c1N.
What is the InChIKey of 4-(3-bromophenyl)-3-(2-iodophenyl)-1-methylpyrazol-5-amine?
The InChIKey is HPSSUHAMBNQZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrIN3/c1-21-16(19)14(10-5-4-6-11(17)9-10)15(20-21)12-7-2-3-8-13(12)18/h2-9H,19H2,1H3.
What are the key properties of 4-(3-bromophenyl)-3-(2-iodophenyl)-1-methylpyrazol-5-amine?
4-(3-bromophenyl)-3-(2-iodophenyl)-1-methylpyrazol-5-amine has a molecular weight of 454.11 g/mol, XLogP of 4.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-3-(2-iodophenyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 43560840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).