N-[1-(2,4-dibromophenyl)ethyl]-1-ethylpyrazol-4-amine

C13H15Br2N3 — CID 60781763

IUPACN-[1-(2,4-dibromophenyl)ethyl]-1-ethylpyrazol-4-amine
SMILESCCn1cc(NC(C)c2ccc(Br)cc2Br)cn1
InChIInChI=1S/C13H15Br2N3/c1-3-18-8-11(7-16-18)17-9(2)12-5-4-10(14)6-13(12)15/h4-9,17H,3H2,1-2H3
InChIKeyHPCFSHAYIFGINY-UHFFFAOYSA-N
MW373.09 g/mol
LogP4.60
Rot. Bonds4

About N-[1-(2,4-dibromophenyl)ethyl]-1-ethylpyrazol-4-amine

N-[1-(2,4-dibromophenyl)ethyl]-1-ethylpyrazol-4-amine (PubChem CID 60781763) has the molecular formula C13H15Br2N3 and a molecular weight of 373.09 g/mol. Its IUPAC name is N-[1-(2,4-dibromophenyl)ethyl]-1-ethylpyrazol-4-amine.

Molecular Properties

Compound NameN-[1-(2,4-dibromophenyl)ethyl]-1-ethylpyrazol-4-amine
PubChem CID60781763
Molecular FormulaC13H15Br2N3
Molecular Weight373.09 g/mol
Exact Mass370.96
IUPAC NameN-[1-(2,4-dibromophenyl)ethyl]-1-ethylpyrazol-4-amine
SMILESCCn1cc(NC(C)c2ccc(Br)cc2Br)cn1
InChIInChI=1S/C13H15Br2N3/c1-3-18-8-11(7-16-18)17-9(2)12-5-4-10(14)6-13(12)15/h4-9,17H,3H2,1-2H3
InChIKeyHPCFSHAYIFGINY-UHFFFAOYSA-N
XLogP4.60
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.09
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,4-dibromophenyl)-(1-ethylpyrazol-4-yl)methyl]ethanamine
CID 107945249
N-[1-(3,4-dimethylphenyl)ethyl]-1-ethylpyrazol-4-amine
CID 43543382
2-[1-[(1-ethylpyrazol-4-yl)amino]ethyl]-4-methylphenol
CID 43543251
1-(2,4-dibromophenyl)-N-ethyl-2-(1-ethylpyrazol-4-yl)ethanamine
CID 107945297
1-ethyl-N-[1-(3-fluorophenyl)ethyl]pyrazol-4-amine
CID 43543392
1-ethyl-N-[1-(2-nitrophenyl)ethyl]pyrazol-4-amine
CID 43543284
3-bromo-N-[1-(2,4-dibromophenyl)ethyl]-5-methylaniline
CID 107582202
4-[1-[(1-ethylpyrazol-4-yl)amino]ethyl]benzonitrile
CID 43543489
2,4,6-tribromo-N-[1-(2,4-dibromophenyl)ethyl]aniline
CID 63425379
3-[1-[(1-ethylpyrazol-4-yl)amino]ethyl]benzenesulfonamide
CID 43776942
N-(3,3-dimethylbutan-2-yl)-1-ethylpyrazol-4-amine
CID 115922661
4-bromo-3-chloro-N-[1-(2,4-dibromophenyl)ethyl]aniline
CID 107618828

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dibromophenyl)ethyl]-1-ethylpyrazol-4-amine?
The IUPAC name of N-[1-(2,4-dibromophenyl)ethyl]-1-ethylpyrazol-4-amine (CID 60781763) is N-[1-(2,4-dibromophenyl)ethyl]-1-ethylpyrazol-4-amine.
What is the SMILES notation for N-[1-(2,4-dibromophenyl)ethyl]-1-ethylpyrazol-4-amine?
The canonical SMILES for N-[1-(2,4-dibromophenyl)ethyl]-1-ethylpyrazol-4-amine is CCn1cc(NC(C)c2ccc(Br)cc2Br)cn1.
What is the InChIKey of N-[1-(2,4-dibromophenyl)ethyl]-1-ethylpyrazol-4-amine?
The InChIKey is HPCFSHAYIFGINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Br2N3/c1-3-18-8-11(7-16-18)17-9(2)12-5-4-10(14)6-13(12)15/h4-9,17H,3H2,1-2H3.
What are the key properties of N-[1-(2,4-dibromophenyl)ethyl]-1-ethylpyrazol-4-amine?
N-[1-(2,4-dibromophenyl)ethyl]-1-ethylpyrazol-4-amine has a molecular weight of 373.09 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dibromophenyl)ethyl]-1-ethylpyrazol-4-amine is sourced from PubChem (CID 60781763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).