2-[(2-bromophenyl)methyl]-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine

C16H22BrN3 — CID 64773195

IUPAC2-[(2-bromophenyl)methyl]-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine
SMILESCC(C)n1ccc(CC(CN)Cc2ccccc2Br)n1
InChIInChI=1S/C16H22BrN3/c1-12(2)20-8-7-15(19-20)10-13(11-18)9-14-5-3-4-6-16(14)17/h3-8,12-13H,9-11,18H2,1-2H3
InChIKeyPDEIMOVCKSLNGK-UHFFFAOYSA-N
MW336.28 g/mol
LogP3.59
Rot. Bonds6

About 2-[(2-bromophenyl)methyl]-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine

2-[(2-bromophenyl)methyl]-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine (PubChem CID 64773195) has the molecular formula C16H22BrN3 and a molecular weight of 336.28 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methyl]-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine.

Molecular Properties

Compound Name2-[(2-bromophenyl)methyl]-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine
PubChem CID64773195
Molecular FormulaC16H22BrN3
Molecular Weight336.28 g/mol
Exact Mass335.10
IUPAC Name2-[(2-bromophenyl)methyl]-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine
SMILESCC(C)n1ccc(CC(CN)Cc2ccccc2Br)n1
InChIInChI=1S/C16H22BrN3/c1-12(2)20-8-7-15(19-20)10-13(11-18)9-14-5-3-4-6-16(14)17/h3-8,12-13H,9-11,18H2,1-2H3
InChIKeyPDEIMOVCKSLNGK-UHFFFAOYSA-N
XLogP3.59
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.28
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(2-bromophenyl)methyl]-3-(1-propan-2-ylpyrazol-3-yl)propan-1-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-[(3-methylphenyl)methyl]-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine
CID 64773193
2-[(2-bromophenyl)methyl]-3-(1-methylpyrazol-3-yl)propan-1-ol
CID 82871625
2-phenyl-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine
CID 65431517
2,3-dimethyl-4-(1-propan-2-ylpyrazol-3-yl)butan-1-amine
CID 81009886
2-[(1-propan-2-ylpyrazol-3-yl)methyl]propane-1,3-diol
CID 79449988
1-(2-bromophenyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol
CID 64785116
2-[(2-bromo-5-methoxyphenyl)methyl]-3-(2-bromophenyl)propan-1-amine
CID 65326574
2-benzyl-3-(1-methylpyrazol-3-yl)propan-1-amine
CID 82877755
3-[[2-bromo-6-(chloromethyl)phenoxy]methyl]-1-propan-2-ylpyrazole
CID 64771488
2-[(4-bromophenyl)methyl]-3-(1-propan-2-ylpyrazol-3-yl)propan-1-ol
CID 66059261
1-(3,5-dibromophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 107975691
2-[(2-bromophenyl)methyl]-3-(2-chloro-3-fluorophenyl)propan-1-amine
CID 115984179

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)methyl]-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine?
The IUPAC name of 2-[(2-bromophenyl)methyl]-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine (CID 64773195) is 2-[(2-bromophenyl)methyl]-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine.
What is the SMILES notation for 2-[(2-bromophenyl)methyl]-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine?
The canonical SMILES for 2-[(2-bromophenyl)methyl]-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine is CC(C)n1ccc(CC(CN)Cc2ccccc2Br)n1.
What is the InChIKey of 2-[(2-bromophenyl)methyl]-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine?
The InChIKey is PDEIMOVCKSLNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN3/c1-12(2)20-8-7-15(19-20)10-13(11-18)9-14-5-3-4-6-16(14)17/h3-8,12-13H,9-11,18H2,1-2H3.
What are the key properties of 2-[(2-bromophenyl)methyl]-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine?
2-[(2-bromophenyl)methyl]-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine has a molecular weight of 336.28 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)methyl]-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine is sourced from PubChem (CID 64773195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).