2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(2,4-dimethylphenyl)ethanamine

C17H24BrN3 — CID 105002333

IUPAC2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(2,4-dimethylphenyl)ethanamine
SMILESCCc1nn(CC)c(CC(N)c2ccc(C)cc2C)c1Br
InChIInChI=1S/C17H24BrN3/c1-5-15-17(18)16(21(6-2)20-15)10-14(19)13-8-7-11(3)9-12(13)4/h7-9,14H,5-6,10,19H2,1-4H3
InChIKeyNROHVBMELAFBMX-UHFFFAOYSA-N
MW350.30 g/mol
LogP4.09
Rot. Bonds5

About 2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(2,4-dimethylphenyl)ethanamine

2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(2,4-dimethylphenyl)ethanamine (PubChem CID 105002333) has the molecular formula C17H24BrN3 and a molecular weight of 350.30 g/mol. Its IUPAC name is 2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(2,4-dimethylphenyl)ethanamine.

Molecular Properties

Compound Name2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(2,4-dimethylphenyl)ethanamine
PubChem CID105002333
Molecular FormulaC17H24BrN3
Molecular Weight350.30 g/mol
Exact Mass349.12
IUPAC Name2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(2,4-dimethylphenyl)ethanamine
SMILESCCc1nn(CC)c(CC(N)c2ccc(C)cc2C)c1Br
InChIInChI=1S/C17H24BrN3/c1-5-15-17(18)16(21(6-2)20-15)10-14(19)13-8-7-11(3)9-12(13)4/h7-9,14H,5-6,10,19H2,1-4H3
InChIKeyNROHVBMELAFBMX-UHFFFAOYSA-N
XLogP4.09
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.30
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(2-bromo-4-methylphenyl)ethanamine
CID 105002460
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(2,4-dimethylphenyl)ethanamine
CID 104994444
1-(4-bromo-2-chlorophenyl)-2-(4-bromo-1,3-diethylpyrazol-5-yl)ethanamine
CID 105002384
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-methylfuran-2-yl)ethanamine
CID 104804208
2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2-bromo-5-methylphenyl)ethanamine
CID 104998312
3-(4-bromo-1,3-diethylpyrazol-5-yl)-2-(4-methylphenyl)propan-1-amine
CID 79430400
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-(3-chloro-4-methylthiophen-2-yl)ethanamine
CID 103406536
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(5-chlorothiophen-2-yl)ethanamine
CID 105002359
[2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(3-methylphenyl)ethyl]hydrazine
CID 105200822

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(2,4-dimethylphenyl)ethanamine?
The IUPAC name of 2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(2,4-dimethylphenyl)ethanamine (CID 105002333) is 2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(2,4-dimethylphenyl)ethanamine.
What is the SMILES notation for 2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(2,4-dimethylphenyl)ethanamine?
The canonical SMILES for 2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(2,4-dimethylphenyl)ethanamine is CCc1nn(CC)c(CC(N)c2ccc(C)cc2C)c1Br.
What is the InChIKey of 2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(2,4-dimethylphenyl)ethanamine?
The InChIKey is NROHVBMELAFBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrN3/c1-5-15-17(18)16(21(6-2)20-15)10-14(19)13-8-7-11(3)9-12(13)4/h7-9,14H,5-6,10,19H2,1-4H3.
What are the key properties of 2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(2,4-dimethylphenyl)ethanamine?
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(2,4-dimethylphenyl)ethanamine has a molecular weight of 350.30 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(2,4-dimethylphenyl)ethanamine is sourced from PubChem (CID 105002333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).