2-(2-bromophenyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethanamine

C13H15BrClN3 — CID 62129333

IUPAC2-(2-bromophenyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethanamine
SMILESCc1nn(C(CN)c2ccccc2Br)c(C)c1Cl
InChIInChI=1S/C13H15BrClN3/c1-8-13(15)9(2)18(17-8)12(7-16)10-5-3-4-6-11(10)14/h3-6,12H,7,16H2,1-2H3
InChIKeySBPHPBHIJHRMFZ-UHFFFAOYSA-N
MW328.64 g/mol
LogP3.46
Rot. Bonds3

About 2-(2-bromophenyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethanamine

2-(2-bromophenyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethanamine (PubChem CID 62129333) has the molecular formula C13H15BrClN3 and a molecular weight of 328.64 g/mol. Its IUPAC name is 2-(2-bromophenyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethanamine.

Molecular Properties

Compound Name2-(2-bromophenyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethanamine
PubChem CID62129333
Molecular FormulaC13H15BrClN3
Molecular Weight328.64 g/mol
Exact Mass327.01
IUPAC Name2-(2-bromophenyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethanamine
SMILESCc1nn(C(CN)c2ccccc2Br)c(C)c1Cl
InChIInChI=1S/C13H15BrClN3/c1-8-13(15)9(2)18(17-8)12(7-16)10-5-3-4-6-11(10)14/h3-6,12H,7,16H2,1-2H3
InChIKeySBPHPBHIJHRMFZ-UHFFFAOYSA-N
XLogP3.46
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.64
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-bromophenyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethanamine 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-chloro-3,5-dimethylpyrazol-1-yl)-2-(2-chlorophenyl)ethanamine
CID 55038887
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-pyridin-2-ylethanamine
CID 62131019
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-ethyl-2-phenylethanamine
CID 55073071
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N'-hydroxy-3-phenylpropanimidamide
CID 76949143
2-(2-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)ethanamine
CID 55022519
2-[1-(2-bromophenyl)-3-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-oxopropyl]propanedinitrile
CID 132584230
2-(2-bromophenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanamine
CID 55022789
3-(4-chloro-1,3-dimethylpyrazol-5-yl)-2-(2-methylphenyl)propan-1-amine
CID 79420924
3-(4-chloro-3,5-dimethylpyrazol-1-yl)pentan-1-amine
CID 19619820
1-(2-bromophenyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethanone
CID 62129519
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-(3-methylthiophen-2-yl)ethanamine
CID 55038608
(2-chlorophenyl)-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 115580073

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethanamine?
The IUPAC name of 2-(2-bromophenyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethanamine (CID 62129333) is 2-(2-bromophenyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethanamine.
What is the SMILES notation for 2-(2-bromophenyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethanamine?
The canonical SMILES for 2-(2-bromophenyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethanamine is Cc1nn(C(CN)c2ccccc2Br)c(C)c1Cl.
What is the InChIKey of 2-(2-bromophenyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethanamine?
The InChIKey is SBPHPBHIJHRMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrClN3/c1-8-13(15)9(2)18(17-8)12(7-16)10-5-3-4-6-11(10)14/h3-6,12H,7,16H2,1-2H3.
What are the key properties of 2-(2-bromophenyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethanamine?
2-(2-bromophenyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethanamine has a molecular weight of 328.64 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethanamine is sourced from PubChem (CID 62129333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).