N-[(2,4-dibromophenyl)-(1-ethylpyrazol-4-yl)methyl]ethanamine

C14H17Br2N3 — CID 107945249

IUPACN-[(2,4-dibromophenyl)-(1-ethylpyrazol-4-yl)methyl]ethanamine
SMILESCCNC(c1cnn(CC)c1)c1ccc(Br)cc1Br
InChIInChI=1S/C14H17Br2N3/c1-3-17-14(10-8-18-19(4-2)9-10)12-6-5-11(15)7-13(12)16/h5-9,14,17H,3-4H2,1-2H3
InChIKeySSILSUWUDOQVQY-UHFFFAOYSA-N
MW387.12 g/mol
LogP4.13
Rot. Bonds5

About N-[(2,4-dibromophenyl)-(1-ethylpyrazol-4-yl)methyl]ethanamine

N-[(2,4-dibromophenyl)-(1-ethylpyrazol-4-yl)methyl]ethanamine (PubChem CID 107945249) has the molecular formula C14H17Br2N3 and a molecular weight of 387.12 g/mol. Its IUPAC name is N-[(2,4-dibromophenyl)-(1-ethylpyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,4-dibromophenyl)-(1-ethylpyrazol-4-yl)methyl]ethanamine
PubChem CID107945249
Molecular FormulaC14H17Br2N3
Molecular Weight387.12 g/mol
Exact Mass384.98
IUPAC NameN-[(2,4-dibromophenyl)-(1-ethylpyrazol-4-yl)methyl]ethanamine
SMILESCCNC(c1cnn(CC)c1)c1ccc(Br)cc1Br
InChIInChI=1S/C14H17Br2N3/c1-3-17-14(10-8-18-19(4-2)9-10)12-6-5-11(15)7-13(12)16/h5-9,14,17H,3-4H2,1-2H3
InChIKeySSILSUWUDOQVQY-UHFFFAOYSA-N
XLogP4.13
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.12
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-bromo-2-methoxyphenyl)-(1-ethylpyrazol-4-yl)methyl]ethanamine
CID 115816130
N-[(2-bromo-5-methylphenyl)-(1-ethylpyrazol-4-yl)methyl]ethanamine
CID 115815855
N-[(2-bromo-5-fluorophenyl)-(1-ethylpyrazol-4-yl)methyl]ethanamine
CID 115815982
1-(2,4-dibromophenyl)-N-ethyl-2-(1-ethylpyrazol-4-yl)ethanamine
CID 107945297
N-[(3-bromo-2-fluorophenyl)-(1-ethylpyrazol-4-yl)methyl]ethanamine
CID 107952538
N-[(5-bromo-2-fluorophenyl)-(1-propylpyrazol-4-yl)methyl]ethanamine
CID 114894914
N-[(2,4-dibromophenyl)-(3,4-dichlorophenyl)methyl]ethanamine
CID 107944930
N-[1-(2,4-dibromophenyl)ethyl]-1-ethylpyrazol-4-amine
CID 60781763
N-[(2,4-dibromophenyl)-(3,4-dimethylphenyl)methyl]ethanamine
CID 107945585
N-[(2-bromo-6-fluorophenyl)-(1-ethylpyrazol-4-yl)methyl]ethanamine
CID 114887322
N-[(4-chloro-3-methylphenyl)-(1-ethylpyrazol-4-yl)methyl]ethanamine
CID 115816140
N-[(1-ethylpyrazol-4-yl)-(4-iodophenyl)methyl]ethanamine
CID 115815706

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dibromophenyl)-(1-ethylpyrazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[(2,4-dibromophenyl)-(1-ethylpyrazol-4-yl)methyl]ethanamine (CID 107945249) is N-[(2,4-dibromophenyl)-(1-ethylpyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2,4-dibromophenyl)-(1-ethylpyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(2,4-dibromophenyl)-(1-ethylpyrazol-4-yl)methyl]ethanamine is CCNC(c1cnn(CC)c1)c1ccc(Br)cc1Br.
What is the InChIKey of N-[(2,4-dibromophenyl)-(1-ethylpyrazol-4-yl)methyl]ethanamine?
The InChIKey is SSILSUWUDOQVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Br2N3/c1-3-17-14(10-8-18-19(4-2)9-10)12-6-5-11(15)7-13(12)16/h5-9,14,17H,3-4H2,1-2H3.
What are the key properties of N-[(2,4-dibromophenyl)-(1-ethylpyrazol-4-yl)methyl]ethanamine?
N-[(2,4-dibromophenyl)-(1-ethylpyrazol-4-yl)methyl]ethanamine has a molecular weight of 387.12 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dibromophenyl)-(1-ethylpyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 107945249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).