N-[1-(3-bromo-2-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethyl]propan-1-amine

C16H21BrClN3 — CID 104996392

IUPACN-[1-(3-bromo-2-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(C)nn1C)c1cccc(Br)c1Cl
InChIInChI=1S/C16H21BrClN3/c1-4-8-19-15(10-12-9-11(2)20-21(12)3)13-6-5-7-14(17)16(13)18/h5-7,9,15,19H,4,8,10H2,1-3H3
InChIKeyTYKMBVSGSBKPEE-UHFFFAOYSA-N
MW370.72 g/mol
LogP4.43
Rot. Bonds6

About N-[1-(3-bromo-2-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethyl]propan-1-amine

N-[1-(3-bromo-2-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethyl]propan-1-amine (PubChem CID 104996392) has the molecular formula C16H21BrClN3 and a molecular weight of 370.72 g/mol. Its IUPAC name is N-[1-(3-bromo-2-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3-bromo-2-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethyl]propan-1-amine
PubChem CID104996392
Molecular FormulaC16H21BrClN3
Molecular Weight370.72 g/mol
Exact Mass369.06
IUPAC NameN-[1-(3-bromo-2-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(C)nn1C)c1cccc(Br)c1Cl
InChIInChI=1S/C16H21BrClN3/c1-4-8-19-15(10-12-9-11(2)20-21(12)3)13-6-5-7-14(17)16(13)18/h5-7,9,15,19H,4,8,10H2,1-3H3
InChIKeyTYKMBVSGSBKPEE-UHFFFAOYSA-N
XLogP4.43
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.72
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(3-bromo-2-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethyl]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-(3-bromo-2-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)-N-methylethanamine
CID 104996334
N-[1-(2-bromo-4-methylphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethyl]propan-1-amine
CID 104996088
1-(3-bromo-2-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanol
CID 115811518
1-(3-bromo-2-chlorophenyl)-N-ethyl-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine
CID 104999176
N-[1-(3,4-dichlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethyl]propan-1-amine
CID 81494950
N-[1-(3,5-dichlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethyl]propan-1-amine
CID 104996379
N-[2-(2,5-dimethylpyrazol-3-yl)-1-(4-fluoro-2-methylphenyl)ethyl]propan-1-amine
CID 81270125
N-[1-(3-chloro-5-methylphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethyl]propan-1-amine
CID 104996086
1-(3-bromo-2-chlorophenyl)-N-propylpentan-1-amine
CID 115832972
N-[2-(2,5-dimethylpyrazol-3-yl)-1-(5-methylfuran-2-yl)ethyl]propan-1-amine
CID 104996311
1-(2-bromo-4-methylphenyl)-2-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine
CID 104996153
N-[2-(2,5-dimethylpyrazol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 105158598

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromo-2-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(3-bromo-2-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethyl]propan-1-amine (CID 104996392) is N-[1-(3-bromo-2-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3-bromo-2-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(3-bromo-2-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethyl]propan-1-amine is CCCNC(Cc1cc(C)nn1C)c1cccc(Br)c1Cl.
What is the InChIKey of N-[1-(3-bromo-2-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethyl]propan-1-amine?
The InChIKey is TYKMBVSGSBKPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrClN3/c1-4-8-19-15(10-12-9-11(2)20-21(12)3)13-6-5-7-14(17)16(13)18/h5-7,9,15,19H,4,8,10H2,1-3H3.
What are the key properties of N-[1-(3-bromo-2-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethyl]propan-1-amine?
N-[1-(3-bromo-2-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethyl]propan-1-amine has a molecular weight of 370.72 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromo-2-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 104996392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).