3-(4-bromo-1,3-diethylpyrazol-5-yl)-2-(4-methylphenyl)propan-1-amine

C17H24BrN3 — CID 79430400

IUPAC3-(4-bromo-1,3-diethylpyrazol-5-yl)-2-(4-methylphenyl)propan-1-amine
SMILESCCc1nn(CC)c(CC(CN)c2ccc(C)cc2)c1Br
InChIInChI=1S/C17H24BrN3/c1-4-15-17(18)16(21(5-2)20-15)10-14(11-19)13-8-6-12(3)7-9-13/h6-9,14H,4-5,10-11,19H2,1-3H3
InChIKeyCMHAVMBTZYORLR-UHFFFAOYSA-N
MW350.30 g/mol
LogP3.82
Rot. Bonds6

About 3-(4-bromo-1,3-diethylpyrazol-5-yl)-2-(4-methylphenyl)propan-1-amine

3-(4-bromo-1,3-diethylpyrazol-5-yl)-2-(4-methylphenyl)propan-1-amine (PubChem CID 79430400) has the molecular formula C17H24BrN3 and a molecular weight of 350.30 g/mol. Its IUPAC name is 3-(4-bromo-1,3-diethylpyrazol-5-yl)-2-(4-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(4-bromo-1,3-diethylpyrazol-5-yl)-2-(4-methylphenyl)propan-1-amine
PubChem CID79430400
Molecular FormulaC17H24BrN3
Molecular Weight350.30 g/mol
Exact Mass349.12
IUPAC Name3-(4-bromo-1,3-diethylpyrazol-5-yl)-2-(4-methylphenyl)propan-1-amine
SMILESCCc1nn(CC)c(CC(CN)c2ccc(C)cc2)c1Br
InChIInChI=1S/C17H24BrN3/c1-4-15-17(18)16(21(5-2)20-15)10-14(11-19)13-8-6-12(3)7-9-13/h6-9,14H,4-5,10-11,19H2,1-3H3
InChIKeyCMHAVMBTZYORLR-UHFFFAOYSA-N
XLogP3.82
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.30
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-bromo-1,3-diethylpyrazol-5-yl)-2-(4-methylphenyl)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-(4-bromo-1,3-diethylpyrazol-5-yl)-2-(4-methylphenyl)propan-1-ol
CID 79432079
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(2,4-dimethylphenyl)ethanamine
CID 105002333
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(2-bromo-4-methylphenyl)ethanamine
CID 105002460
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(2,6-dimethyl-4-pyridinyl)ethanamine
CID 107503033
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(3-chloro-5-methylphenyl)ethanamine
CID 105002486
[2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(3-methylphenyl)ethyl]hydrazine
CID 105200822
[2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(6-methyl-3-pyridinyl)ethyl]hydrazine
CID 105318849
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(3-methylfuran-2-yl)ethanamine
CID 104804208
[2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(2-methyl-4-pyridinyl)ethyl]hydrazine
CID 106756613
4-bromo-5-[2-(4-bromophenyl)-3-chloropropyl]-1-ethyl-3-methylpyrazole
CID 79435088
3-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-2-(3-fluorophenyl)propan-1-amine
CID 79440988
4-bromo-5-[2-(chloromethyl)butyl]-1,3-diethylpyrazole
CID 66033443

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-1,3-diethylpyrazol-5-yl)-2-(4-methylphenyl)propan-1-amine?
The IUPAC name of 3-(4-bromo-1,3-diethylpyrazol-5-yl)-2-(4-methylphenyl)propan-1-amine (CID 79430400) is 3-(4-bromo-1,3-diethylpyrazol-5-yl)-2-(4-methylphenyl)propan-1-amine.
What is the SMILES notation for 3-(4-bromo-1,3-diethylpyrazol-5-yl)-2-(4-methylphenyl)propan-1-amine?
The canonical SMILES for 3-(4-bromo-1,3-diethylpyrazol-5-yl)-2-(4-methylphenyl)propan-1-amine is CCc1nn(CC)c(CC(CN)c2ccc(C)cc2)c1Br.
What is the InChIKey of 3-(4-bromo-1,3-diethylpyrazol-5-yl)-2-(4-methylphenyl)propan-1-amine?
The InChIKey is CMHAVMBTZYORLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrN3/c1-4-15-17(18)16(21(5-2)20-15)10-14(11-19)13-8-6-12(3)7-9-13/h6-9,14H,4-5,10-11,19H2,1-3H3.
What are the key properties of 3-(4-bromo-1,3-diethylpyrazol-5-yl)-2-(4-methylphenyl)propan-1-amine?
3-(4-bromo-1,3-diethylpyrazol-5-yl)-2-(4-methylphenyl)propan-1-amine has a molecular weight of 350.30 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-1,3-diethylpyrazol-5-yl)-2-(4-methylphenyl)propan-1-amine is sourced from PubChem (CID 79430400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).