3-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-2-phenylpropan-1-amine

C14H18BrN3 — CID 114667287

IUPAC3-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-2-phenylpropan-1-amine
SMILESCNCC(Cc1c(Br)cnn1C)c1ccccc1
InChIInChI=1S/C14H18BrN3/c1-16-9-12(11-6-4-3-5-7-11)8-14-13(15)10-17-18(14)2/h3-7,10,12,16H,8-9H2,1-2H3
InChIKeyPOSIIHFHJLBPAC-UHFFFAOYSA-N
MW308.22 g/mol
LogP2.73
Rot. Bonds5

About 3-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-2-phenylpropan-1-amine

3-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-2-phenylpropan-1-amine (PubChem CID 114667287) has the molecular formula C14H18BrN3 and a molecular weight of 308.22 g/mol. Its IUPAC name is 3-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-2-phenylpropan-1-amine.

Molecular Properties

Compound Name3-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-2-phenylpropan-1-amine
PubChem CID114667287
Molecular FormulaC14H18BrN3
Molecular Weight308.22 g/mol
Exact Mass307.07
IUPAC Name3-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-2-phenylpropan-1-amine
SMILESCNCC(Cc1c(Br)cnn1C)c1ccccc1
InChIInChI=1S/C14H18BrN3/c1-16-9-12(11-6-4-3-5-7-11)8-14-13(15)10-17-18(14)2/h3-7,10,12,16H,8-9H2,1-2H3
InChIKeyPOSIIHFHJLBPAC-UHFFFAOYSA-N
XLogP2.73
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-2-phenylpropan-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

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-2-phenylpropan-1-amine?
The IUPAC name of 3-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-2-phenylpropan-1-amine (CID 114667287) is 3-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-2-phenylpropan-1-amine.
What is the SMILES notation for 3-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-2-phenylpropan-1-amine?
The canonical SMILES for 3-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-2-phenylpropan-1-amine is CNCC(Cc1c(Br)cnn1C)c1ccccc1.
What is the InChIKey of 3-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-2-phenylpropan-1-amine?
The InChIKey is POSIIHFHJLBPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3/c1-16-9-12(11-6-4-3-5-7-11)8-14-13(15)10-17-18(14)2/h3-7,10,12,16H,8-9H2,1-2H3.
What are the key properties of 3-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-2-phenylpropan-1-amine?
3-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-2-phenylpropan-1-amine has a molecular weight of 308.22 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-2-phenylpropan-1-amine is sourced from PubChem (CID 114667287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).