1-[5-bromo-2-(4-chloro-3-methylpyrazol-1-yl)phenyl]-N-ethylethanamine

C14H17BrClN3 — CID 82968629

IUPAC1-[5-bromo-2-(4-chloro-3-methylpyrazol-1-yl)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1cc(Br)ccc1-n1cc(Cl)c(C)n1
InChIInChI=1S/C14H17BrClN3/c1-4-17-9(2)12-7-11(15)5-6-14(12)19-8-13(16)10(3)18-19/h5-9,17H,4H2,1-3H3
InChIKeyJHKFRKJKQMNPSE-UHFFFAOYSA-N
MW342.67 g/mol
LogP4.27
Rot. Bonds4

About 1-[5-bromo-2-(4-chloro-3-methylpyrazol-1-yl)phenyl]-N-ethylethanamine

1-[5-bromo-2-(4-chloro-3-methylpyrazol-1-yl)phenyl]-N-ethylethanamine (PubChem CID 82968629) has the molecular formula C14H17BrClN3 and a molecular weight of 342.67 g/mol. Its IUPAC name is 1-[5-bromo-2-(4-chloro-3-methylpyrazol-1-yl)phenyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[5-bromo-2-(4-chloro-3-methylpyrazol-1-yl)phenyl]-N-ethylethanamine
PubChem CID82968629
Molecular FormulaC14H17BrClN3
Molecular Weight342.67 g/mol
Exact Mass341.03
IUPAC Name1-[5-bromo-2-(4-chloro-3-methylpyrazol-1-yl)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1cc(Br)ccc1-n1cc(Cl)c(C)n1
InChIInChI=1S/C14H17BrClN3/c1-4-17-9(2)12-7-11(15)5-6-14(12)19-8-13(16)10(3)18-19/h5-9,17H,4H2,1-3H3
InChIKeyJHKFRKJKQMNPSE-UHFFFAOYSA-N
XLogP4.27
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.67
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-bromo-2-(3-methylpyrazol-1-yl)phenyl]-N-ethylethanamine
CID 82968056
1-[5-bromo-2-(4-methylpiperazin-1-yl)phenyl]-N-ethylethanamine
CID 82972475
1-[2-(benzotriazol-1-yl)-5-bromophenyl]-N-ethylethanamine
CID 82953722
1-[5-bromo-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]-N-ethylethanamine
CID 82969471
1-[5-bromo-2-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-N-ethylethanamine
CID 82971422
1-[5-bromo-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-N-ethylethanamine
CID 104959026
1-[5-bromo-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)phenyl]-N-ethylethanamine
CID 82953888
1-[4-[4-bromo-2-[1-(ethylamino)ethyl]phenyl]piperazin-1-yl]ethanone
CID 82956165
5-bromo-N,N-diethyl-2-[1-(ethylamino)ethyl]aniline
CID 82971768
1-[5-bromo-2-[1-(ethylamino)ethyl]phenyl]-N-methylpyrazole-3-carboxamide
CID 82953548
1-[5-bromo-2-(4-methylazepan-1-yl)phenyl]-N-ethylethanamine
CID 82968313
N-[1-(5-bromo-2-imidazol-1-ylphenyl)ethyl]propan-1-amine
CID 82968272

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-(4-chloro-3-methylpyrazol-1-yl)phenyl]-N-ethylethanamine?
The IUPAC name of 1-[5-bromo-2-(4-chloro-3-methylpyrazol-1-yl)phenyl]-N-ethylethanamine (CID 82968629) is 1-[5-bromo-2-(4-chloro-3-methylpyrazol-1-yl)phenyl]-N-ethylethanamine.
What is the SMILES notation for 1-[5-bromo-2-(4-chloro-3-methylpyrazol-1-yl)phenyl]-N-ethylethanamine?
The canonical SMILES for 1-[5-bromo-2-(4-chloro-3-methylpyrazol-1-yl)phenyl]-N-ethylethanamine is CCNC(C)c1cc(Br)ccc1-n1cc(Cl)c(C)n1.
What is the InChIKey of 1-[5-bromo-2-(4-chloro-3-methylpyrazol-1-yl)phenyl]-N-ethylethanamine?
The InChIKey is JHKFRKJKQMNPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrClN3/c1-4-17-9(2)12-7-11(15)5-6-14(12)19-8-13(16)10(3)18-19/h5-9,17H,4H2,1-3H3.
What are the key properties of 1-[5-bromo-2-(4-chloro-3-methylpyrazol-1-yl)phenyl]-N-ethylethanamine?
1-[5-bromo-2-(4-chloro-3-methylpyrazol-1-yl)phenyl]-N-ethylethanamine has a molecular weight of 342.67 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-(4-chloro-3-methylpyrazol-1-yl)phenyl]-N-ethylethanamine is sourced from PubChem (CID 82968629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).