2-[1-(3-bromophenyl)-5-methylpyrazol-4-yl]propan-2-amine

C13H16BrN3 — CID 82528324

IUPAC2-[1-(3-bromophenyl)-5-methylpyrazol-4-yl]propan-2-amine
SMILESCc1c(C(C)(C)N)cnn1-c1cccc(Br)c1
InChIInChI=1S/C13H16BrN3/c1-9-12(13(2,3)15)8-16-17(9)11-6-4-5-10(14)7-11/h4-8H,15H2,1-3H3
InChIKeyGFRHHUUQCSJCJG-UHFFFAOYSA-N
MW294.20 g/mol
LogP3.14
Rot. Bonds2

About 2-[1-(3-bromophenyl)-5-methylpyrazol-4-yl]propan-2-amine

2-[1-(3-bromophenyl)-5-methylpyrazol-4-yl]propan-2-amine (PubChem CID 82528324) has the molecular formula C13H16BrN3 and a molecular weight of 294.20 g/mol. Its IUPAC name is 2-[1-(3-bromophenyl)-5-methylpyrazol-4-yl]propan-2-amine.

Molecular Properties

Compound Name2-[1-(3-bromophenyl)-5-methylpyrazol-4-yl]propan-2-amine
PubChem CID82528324
Molecular FormulaC13H16BrN3
Molecular Weight294.20 g/mol
Exact Mass293.05
IUPAC Name2-[1-(3-bromophenyl)-5-methylpyrazol-4-yl]propan-2-amine
SMILESCc1c(C(C)(C)N)cnn1-c1cccc(Br)c1
InChIInChI=1S/C13H16BrN3/c1-9-12(13(2,3)15)8-16-17(9)11-6-4-5-10(14)7-11/h4-8H,15H2,1-3H3
InChIKeyGFRHHUUQCSJCJG-UHFFFAOYSA-N
XLogP3.14
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.20
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-(3-bromophenyl)-5-methylpyrazol-4-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-[1-(3-bromophenyl)-5-methylpyrazol-4-yl]acetic acid
CID 82528327
1-(3-bromophenyl)-5-(trifluoromethyl)pyrazol-4-amine
CID 66440827
4-bromo-1-(3-bromophenyl)-5-(trifluoromethyl)pyrazole
CID 43542709
2-[1-(3-bromophenyl)-5-methylpyrazol-4-yl]isoindole-1,3-dione
CID 118969811
1-(3-bromophenyl)-5-fluoropyrazol-4-amine
CID 115047671
(3-tert-butyl-1H-1,2,4-triazol-5-yl)methyl 1-(3-bromophenyl)-5-methylpyrazole-4-carboxylate
CID 166193096
[1-(3-bromophenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanamine
CID 66440508
[1-(3-bromophenyl)-5-ethylpyrazol-4-yl]methanamine
CID 66440713
1-(3-bromophenyl)-5-methoxypyrazolo[3,4-c]pyridazine
CID 141445000
[1-(3-bromophenyl)-5-chloropyrazol-4-yl]methanamine
CID 115052372
3-[[1-(3-bromophenyl)-5-methylpyrazole-4-carbonyl]-methylamino]propanoic acid
CID 119232427
4-(bromomethyl)-1-(3-bromophenyl)-5-propan-2-ylpyrazole
CID 66437281

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-bromophenyl)-5-methylpyrazol-4-yl]propan-2-amine?
The IUPAC name of 2-[1-(3-bromophenyl)-5-methylpyrazol-4-yl]propan-2-amine (CID 82528324) is 2-[1-(3-bromophenyl)-5-methylpyrazol-4-yl]propan-2-amine.
What is the SMILES notation for 2-[1-(3-bromophenyl)-5-methylpyrazol-4-yl]propan-2-amine?
The canonical SMILES for 2-[1-(3-bromophenyl)-5-methylpyrazol-4-yl]propan-2-amine is Cc1c(C(C)(C)N)cnn1-c1cccc(Br)c1.
What is the InChIKey of 2-[1-(3-bromophenyl)-5-methylpyrazol-4-yl]propan-2-amine?
The InChIKey is GFRHHUUQCSJCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3/c1-9-12(13(2,3)15)8-16-17(9)11-6-4-5-10(14)7-11/h4-8H,15H2,1-3H3.
What are the key properties of 2-[1-(3-bromophenyl)-5-methylpyrazol-4-yl]propan-2-amine?
2-[1-(3-bromophenyl)-5-methylpyrazol-4-yl]propan-2-amine has a molecular weight of 294.20 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-bromophenyl)-5-methylpyrazol-4-yl]propan-2-amine is sourced from PubChem (CID 82528324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).