2-(4-bromophenyl)-1-(1-methylpyrazol-3-yl)propan-2-amine

C13H16BrN3 — CID 82869106

IUPAC2-(4-bromophenyl)-1-(1-methylpyrazol-3-yl)propan-2-amine
SMILESCn1ccc(CC(C)(N)c2ccc(Br)cc2)n1
InChIInChI=1S/C13H16BrN3/c1-13(15,9-12-7-8-17(2)16-12)10-3-5-11(14)6-4-10/h3-8H,9,15H2,1-2H3
InChIKeyOCHBYHRBXGTQMT-UHFFFAOYSA-N
MW294.20 g/mol
LogP2.60
Rot. Bonds3

About 2-(4-bromophenyl)-1-(1-methylpyrazol-3-yl)propan-2-amine

2-(4-bromophenyl)-1-(1-methylpyrazol-3-yl)propan-2-amine (PubChem CID 82869106) has the molecular formula C13H16BrN3 and a molecular weight of 294.20 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-(1-methylpyrazol-3-yl)propan-2-amine.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-(1-methylpyrazol-3-yl)propan-2-amine
PubChem CID82869106
Molecular FormulaC13H16BrN3
Molecular Weight294.20 g/mol
Exact Mass293.05
IUPAC Name2-(4-bromophenyl)-1-(1-methylpyrazol-3-yl)propan-2-amine
SMILESCn1ccc(CC(C)(N)c2ccc(Br)cc2)n1
InChIInChI=1S/C13H16BrN3/c1-13(15,9-12-7-8-17(2)16-12)10-3-5-11(14)6-4-10/h3-8H,9,15H2,1-2H3
InChIKeyOCHBYHRBXGTQMT-UHFFFAOYSA-N
XLogP2.60
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.20
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-bromophenyl)-1-(1-methylpyrazol-3-yl)propan-2-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

2-(4-ethylphenyl)-1-(1-methylpyrazol-3-yl)propan-2-amine
CID 82870218
2-(3,4-dimethylphenyl)-1-(1-methylpyrazol-3-yl)propan-2-amine
CID 82870328
2-(4-bromophenyl)-1-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine
CID 64786032
2-(2,5-dimethylphenyl)-1-(1-methylpyrazol-3-yl)propan-2-amine
CID 82868491
2-(4-iodophenyl)-1-(1-methylpyrazol-3-yl)propan-2-ol
CID 114083203
2-(4-bromophenyl)-1-(5-ethylthiophen-2-yl)propan-2-amine
CID 55096063
1-(1-methylpyrazol-3-yl)-2-phenylbutan-2-amine
CID 82869830
2-(4-methoxyphenyl)-1-(1-methylpyrazol-3-yl)propan-2-ol
CID 82869305
diethyl 2-methyl-2-[(1-methylpyrazol-3-yl)methyl]propanedioate
CID 103972610
2-(4-bromophenyl)-1-(2-fluorophenyl)propan-2-amine
CID 60799509
1-(4-bromo-2-fluorophenyl)-2-(4-bromophenyl)propan-2-amine
CID 55187150
3-[3-chloro-2-(chloromethyl)-2-phenylpropyl]-1-methylpyrazole
CID 82871774

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-(1-methylpyrazol-3-yl)propan-2-amine?
The IUPAC name of 2-(4-bromophenyl)-1-(1-methylpyrazol-3-yl)propan-2-amine (CID 82869106) is 2-(4-bromophenyl)-1-(1-methylpyrazol-3-yl)propan-2-amine.
What is the SMILES notation for 2-(4-bromophenyl)-1-(1-methylpyrazol-3-yl)propan-2-amine?
The canonical SMILES for 2-(4-bromophenyl)-1-(1-methylpyrazol-3-yl)propan-2-amine is Cn1ccc(CC(C)(N)c2ccc(Br)cc2)n1.
What is the InChIKey of 2-(4-bromophenyl)-1-(1-methylpyrazol-3-yl)propan-2-amine?
The InChIKey is OCHBYHRBXGTQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3/c1-13(15,9-12-7-8-17(2)16-12)10-3-5-11(14)6-4-10/h3-8H,9,15H2,1-2H3.
What are the key properties of 2-(4-bromophenyl)-1-(1-methylpyrazol-3-yl)propan-2-amine?
2-(4-bromophenyl)-1-(1-methylpyrazol-3-yl)propan-2-amine has a molecular weight of 294.20 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-(1-methylpyrazol-3-yl)propan-2-amine is sourced from PubChem (CID 82869106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).