N-[[1-[(2-bromophenyl)methyl]pyrazol-4-yl]methyl]ethanamine

C13H16BrN3 — CID 62731931

IUPACN-[[1-[(2-bromophenyl)methyl]pyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1cnn(Cc2ccccc2Br)c1
InChIInChI=1S/C13H16BrN3/c1-2-15-7-11-8-16-17(9-11)10-12-5-3-4-6-13(12)14/h3-6,8-9,15H,2,7,10H2,1H3
InChIKeyNOFWZAKGYSLHRU-UHFFFAOYSA-N
MW294.20 g/mol
LogP2.80
Rot. Bonds5

About N-[[1-[(2-bromophenyl)methyl]pyrazol-4-yl]methyl]ethanamine

N-[[1-[(2-bromophenyl)methyl]pyrazol-4-yl]methyl]ethanamine (PubChem CID 62731931) has the molecular formula C13H16BrN3 and a molecular weight of 294.20 g/mol. Its IUPAC name is N-[[1-[(2-bromophenyl)methyl]pyrazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[(2-bromophenyl)methyl]pyrazol-4-yl]methyl]ethanamine
PubChem CID62731931
Molecular FormulaC13H16BrN3
Molecular Weight294.20 g/mol
Exact Mass293.05
IUPAC NameN-[[1-[(2-bromophenyl)methyl]pyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1cnn(Cc2ccccc2Br)c1
InChIInChI=1S/C13H16BrN3/c1-2-15-7-11-8-16-17(9-11)10-12-5-3-4-6-13(12)14/h3-6,8-9,15H,2,7,10H2,1H3
InChIKeyNOFWZAKGYSLHRU-UHFFFAOYSA-N
XLogP2.80
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.20
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[1-[(2-bromophenyl)methyl]pyrazol-4-yl]methyl]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

1-[1-[(2-bromophenyl)methyl]pyrazol-4-yl]-N-methylmethanamine
CID 62730652
N-[[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]methyl]ethanamine
CID 60699444
N-[[3-bromo-4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]ethanamine
CID 102772137
N-[[1-[(2-methylphenyl)methyl]pyrazol-4-yl]methyl]propan-1-amine
CID 62730305
1-[1-[(2-bromophenyl)methyl]pyrazol-4-yl]-N-ethylpropan-1-amine
CID 55109411
N-[[1-[(5-fluoro-2-methylphenyl)methyl]pyrazol-4-yl]methyl]ethanamine
CID 105375094
N-[[1-[(2-fluoro-3-nitrophenyl)methyl]pyrazol-4-yl]methyl]ethanamine
CID 107353549
N-[[1-[(2-bromo-4-fluorophenyl)methyl]pyrazol-4-yl]methyl]propan-1-amine
CID 62729753
1-[1-[(2-bromophenyl)methyl]pyrazol-4-yl]propan-1-amine
CID 55110447
N-[[1-(3-phenylpropyl)pyrazol-4-yl]methyl]ethanamine
CID 55134665
2-[[(1-propylpyrazol-4-yl)methylamino]methyl]phenol;hydrochloride
CID 126965886
N-[[1-[(2-bromophenyl)methyl]-5-propan-2-ylpyrazol-4-yl]methyl]ethanamine
CID 66439602

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-bromophenyl)methyl]pyrazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[(2-bromophenyl)methyl]pyrazol-4-yl]methyl]ethanamine (CID 62731931) is N-[[1-[(2-bromophenyl)methyl]pyrazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[(2-bromophenyl)methyl]pyrazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[(2-bromophenyl)methyl]pyrazol-4-yl]methyl]ethanamine is CCNCc1cnn(Cc2ccccc2Br)c1.
What is the InChIKey of N-[[1-[(2-bromophenyl)methyl]pyrazol-4-yl]methyl]ethanamine?
The InChIKey is NOFWZAKGYSLHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3/c1-2-15-7-11-8-16-17(9-11)10-12-5-3-4-6-13(12)14/h3-6,8-9,15H,2,7,10H2,1H3.
What are the key properties of N-[[1-[(2-bromophenyl)methyl]pyrazol-4-yl]methyl]ethanamine?
N-[[1-[(2-bromophenyl)methyl]pyrazol-4-yl]methyl]ethanamine has a molecular weight of 294.20 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-bromophenyl)methyl]pyrazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 62731931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).