1-[1-[(2-Bromophenyl)methyl]pyrazol-4-yl]propan-1-amine

C13H16BrN3 — CID 55110447

IUPAC1-[1-[(2-bromophenyl)methyl]pyrazol-4-yl]propan-1-amine
SMILESCCC(C1=CN(N=C1)CC2=CC=CC=C2Br)N
InChIInChI=1S/C13H16BrN3/c1-2-13(15)11-7-16-17(9-11)8-10-5-3-4-6-12(10)14/h3-7,9,13H,2,8,15H2,1H3
InChIKeyARPWAGGMZCGRJR-UHFFFAOYSA-N
MW294.19 g/mol
LogP2.30
Rot. Bonds4

About 1-[1-[(2-Bromophenyl)methyl]pyrazol-4-yl]propan-1-amine

1-[1-[(2-Bromophenyl)methyl]pyrazol-4-yl]propan-1-amine (PubChem CID 55110447) has the molecular formula C13H16BrN3 and a molecular weight of 294.19 g/mol. Its IUPAC name is 1-[1-[(2-bromophenyl)methyl]pyrazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name1-[1-[(2-Bromophenyl)methyl]pyrazol-4-yl]propan-1-amine
PubChem CID55110447
Molecular FormulaC13H16BrN3
Molecular Weight294.19 g/mol
Exact Mass293.05
IUPAC Name1-[1-[(2-bromophenyl)methyl]pyrazol-4-yl]propan-1-amine
SMILESCCC(C1=CN(N=C1)CC2=CC=CC=C2Br)N
InChIInChI=1S/C13H16BrN3/c1-2-13(15)11-7-16-17(9-11)8-10-5-3-4-6-12(10)14/h3-7,9,13H,2,8,15H2,1H3
InChIKeyARPWAGGMZCGRJR-UHFFFAOYSA-N
XLogP2.30
TPSA43.80 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity237

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.19
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[1-[(2-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

((1-benzyl-1H-pyrazol-4-yl)methyl)(methyl)amine
CID 7131412
4-(4-phenyl-1H-pyrazol-1-yl)piperidine
CID 24208827
1-benzyl-4-bromo-1H-pyrazole
CID 2989466
3-(4-Bromophenyl)-1-methyl-1H-pyrazole
CID 2819635
4-(3-bromophenyl)-1-methyl-1H-pyrazole
CID 19889425
3-(3-Bromophenyl)-1-methyl-1H-pyrazole
CID 22329555
(1-benzyl-1H-pyrazol-4-yl)methanamine
CID 24704245
2-phenyl-2-(1H-pyrazol-1-yl)ethan-1-amine
CID 45792667
1-[(3-bromophenyl)methyl]-1H-pyrazole
CID 57451653
4-bromo-1-(1-phenylethyl)-1H-pyrazole
CID 64120426
1-benzyl-4-(3-bromophenyl)-1H-pyrazole
CID 80001504
1-benzyl-3-bromo-1H-pyrazole
CID 97053225

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-Bromophenyl)methyl]pyrazol-4-yl]propan-1-amine?
The IUPAC name of 1-[1-[(2-Bromophenyl)methyl]pyrazol-4-yl]propan-1-amine (CID 55110447) is 1-[1-[(2-bromophenyl)methyl]pyrazol-4-yl]propan-1-amine.
What is the SMILES notation for 1-[1-[(2-Bromophenyl)methyl]pyrazol-4-yl]propan-1-amine?
The canonical SMILES for 1-[1-[(2-Bromophenyl)methyl]pyrazol-4-yl]propan-1-amine is CCC(C1=CN(N=C1)CC2=CC=CC=C2Br)N.
What is the InChIKey of 1-[1-[(2-Bromophenyl)methyl]pyrazol-4-yl]propan-1-amine?
The InChIKey is ARPWAGGMZCGRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3/c1-2-13(15)11-7-16-17(9-11)8-10-5-3-4-6-12(10)14/h3-7,9,13H,2,8,15H2,1H3.
What are the key properties of 1-[1-[(2-Bromophenyl)methyl]pyrazol-4-yl]propan-1-amine?
1-[1-[(2-Bromophenyl)methyl]pyrazol-4-yl]propan-1-amine has a molecular weight of 294.19 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-Bromophenyl)methyl]pyrazol-4-yl]propan-1-amine is sourced from PubChem (CID 55110447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).