3-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]propan-1-amine

C13H16BrN3 — CID 55172803

IUPAC3-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]propan-1-amine
SMILESNCCCc1cnn(Cc2ccc(Br)cc2)c1
InChIInChI=1S/C13H16BrN3/c14-13-5-3-11(4-6-13)9-17-10-12(8-16-17)2-1-7-15/h3-6,8,10H,1-2,7,9,15H2
InChIKeyADZJKGRKCYPHAJ-UHFFFAOYSA-N
MW294.20 g/mol
LogP2.59
Rot. Bonds5

About 3-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]propan-1-amine

3-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]propan-1-amine (PubChem CID 55172803) has the molecular formula C13H16BrN3 and a molecular weight of 294.20 g/mol. Its IUPAC name is 3-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name3-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]propan-1-amine
PubChem CID55172803
Molecular FormulaC13H16BrN3
Molecular Weight294.20 g/mol
Exact Mass293.05
IUPAC Name3-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]propan-1-amine
SMILESNCCCc1cnn(Cc2ccc(Br)cc2)c1
InChIInChI=1S/C13H16BrN3/c14-13-5-3-11(4-6-13)9-17-10-12(8-16-17)2-1-7-15/h3-6,8,10H,1-2,7,9,15H2
InChIKeyADZJKGRKCYPHAJ-UHFFFAOYSA-N
XLogP2.59
TPSA43.84 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 ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[1-[(4-bromophenyl)methyl]pyrazol-4-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

3-[1-[(3-bromophenyl)methyl]pyrazol-4-yl]propan-1-amine
CID 63276910
3-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-N-ethylpropan-1-amine
CID 63276731
2-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-N-ethylethanamine
CID 112754953
3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]propan-1-amine
CID 63279067
1-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-N-methylmethanamine
CID 62730298
1-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]butan-2-amine
CID 62731684
4-(3-chloropropyl)-1-[(4-fluorophenyl)methyl]pyrazole
CID 63278715
2-[4-(3-aminopropyl)pyrazol-1-yl]acetonitrile
CID 122240562
3-[1-[(4-bromophenyl)methyl]-5-methylpyrazol-4-yl]propan-1-amine
CID 63276856
4-(1-ethylpyrazol-4-yl)butan-1-amine
CID 64502922
3-[1-(3-methylbut-2-enyl)pyrazol-4-yl]propan-1-amine
CID 122240842
10-(4-bromophenyl)decan-1-amine
CID 70564089

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]propan-1-amine?
The IUPAC name of 3-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]propan-1-amine (CID 55172803) is 3-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]propan-1-amine.
What is the SMILES notation for 3-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]propan-1-amine?
The canonical SMILES for 3-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]propan-1-amine is NCCCc1cnn(Cc2ccc(Br)cc2)c1.
What is the InChIKey of 3-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]propan-1-amine?
The InChIKey is ADZJKGRKCYPHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3/c14-13-5-3-11(4-6-13)9-17-10-12(8-16-17)2-1-7-15/h3-6,8,10H,1-2,7,9,15H2.
What are the key properties of 3-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]propan-1-amine?
3-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]propan-1-amine has a molecular weight of 294.20 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]propan-1-amine is sourced from PubChem (CID 55172803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).