1-(4-bromo-2-methylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine

C14H18BrN3 — CID 103030747

IUPAC1-(4-bromo-2-methylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
SMILESCc1cc(Br)ccc1C(N)CCc1ccnn1C
InChIInChI=1S/C14H18BrN3/c1-10-9-11(15)3-5-13(10)14(16)6-4-12-7-8-17-18(12)2/h3,5,7-9,14H,4,6,16H2,1-2H3
InChIKeyNOVBDSWNYXSPHN-UHFFFAOYSA-N
MW308.22 g/mol
LogP3.12
Rot. Bonds4

About 1-(4-bromo-2-methylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine

1-(4-bromo-2-methylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine (PubChem CID 103030747) has the molecular formula C14H18BrN3 and a molecular weight of 308.22 g/mol. Its IUPAC name is 1-(4-bromo-2-methylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine.

Molecular Properties

Compound Name1-(4-bromo-2-methylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
PubChem CID103030747
Molecular FormulaC14H18BrN3
Molecular Weight308.22 g/mol
Exact Mass307.07
IUPAC Name1-(4-bromo-2-methylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
SMILESCc1cc(Br)ccc1C(N)CCc1ccnn1C
InChIInChI=1S/C14H18BrN3/c1-10-9-11(15)3-5-13(10)14(16)6-4-12-7-8-17-18(12)2/h3,5,7-9,14H,4,6,16H2,1-2H3
InChIKeyNOVBDSWNYXSPHN-UHFFFAOYSA-N
XLogP3.12
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-bromo-2-methylphenyl)-3-(2-methylpyrazol-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

1-(2,5-dibromophenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030513
1-(3,4-dimethylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103031043
1-(3,5-dimethylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030528
[1-(2,4-dibromophenyl)-3-(2-methylpyrazol-3-yl)propyl]hydrazine
CID 107948596
1-(2-chloro-3-fluorophenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030836
1-(4-bromo-2-methylphenyl)-5-methylhexan-1-amine
CID 105028683
1-(2,6-difluoro-3-methylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030616
1-(2,5-dimethoxyphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103031048
3-(2-methylpyrazol-3-yl)-1-(3,4,5-trifluorophenyl)propan-1-amine
CID 103009601
1-(2,4-dimethylphenyl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030633
3-(2-methylpyrazol-3-yl)-1-pyrimidin-5-ylpropan-1-amine
CID 103030546
1-(2-methylpyrazol-3-yl)pentan-3-amine
CID 64505334

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine?
The IUPAC name of 1-(4-bromo-2-methylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine (CID 103030747) is 1-(4-bromo-2-methylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine.
What is the SMILES notation for 1-(4-bromo-2-methylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine?
The canonical SMILES for 1-(4-bromo-2-methylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine is Cc1cc(Br)ccc1C(N)CCc1ccnn1C.
What is the InChIKey of 1-(4-bromo-2-methylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine?
The InChIKey is NOVBDSWNYXSPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3/c1-10-9-11(15)3-5-13(10)14(16)6-4-12-7-8-17-18(12)2/h3,5,7-9,14H,4,6,16H2,1-2H3.
What are the key properties of 1-(4-bromo-2-methylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine?
1-(4-bromo-2-methylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine has a molecular weight of 308.22 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-methylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine is sourced from PubChem (CID 103030747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).