2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2-chloro-6-fluorophenyl)-N-ethylethanamine

C15H18BrClFN3 — CID 105000219

IUPAC2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2-chloro-6-fluorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1c(Br)c(C)nn1C)c1c(F)cccc1Cl
InChIInChI=1S/C15H18BrClFN3/c1-4-19-12(14-10(17)6-5-7-11(14)18)8-13-15(16)9(2)20-21(13)3/h5-7,12,19H,4,8H2,1-3H3
InChIKeyMBUYSNSFAGTSRY-UHFFFAOYSA-N
MW374.69 g/mol
LogP4.18
Rot. Bonds5

About 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2-chloro-6-fluorophenyl)-N-ethylethanamine

2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2-chloro-6-fluorophenyl)-N-ethylethanamine (PubChem CID 105000219) has the molecular formula C15H18BrClFN3 and a molecular weight of 374.69 g/mol. Its IUPAC name is 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2-chloro-6-fluorophenyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2-chloro-6-fluorophenyl)-N-ethylethanamine
PubChem CID105000219
Molecular FormulaC15H18BrClFN3
Molecular Weight374.69 g/mol
Exact Mass373.04
IUPAC Name2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2-chloro-6-fluorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1c(Br)c(C)nn1C)c1c(F)cccc1Cl
InChIInChI=1S/C15H18BrClFN3/c1-4-19-12(14-10(17)6-5-7-11(14)18)8-13-15(16)9(2)20-21(13)3/h5-7,12,19H,4,8H2,1-3H3
InChIKeyMBUYSNSFAGTSRY-UHFFFAOYSA-N
XLogP4.18
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.69
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(2-chloro-6-fluorophenyl)ethyl]hydrazine
CID 105314861
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(3-chloro-4-pyridinyl)-N-ethylethanamine
CID 105160960
1-(2-chloro-6-fluorophenyl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine
CID 105011269
[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(3-chloro-2-methylphenyl)ethyl]hydrazine
CID 107103733
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(2-methylpyrimidin-4-yl)ethanamine
CID 115530947
1-(2-chloro-6-fluorophenyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 115821272
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(5-methylfuran-3-yl)ethanamine
CID 105000428
[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(4-chloro-2-fluorophenyl)ethyl]hydrazine
CID 105217846
1-(2-chloro-6-fluorophenyl)-N-ethyl-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine
CID 105001881
1-(2-chloro-6-fluorophenyl)-N-ethylethane-1,2-diamine
CID 62066046
[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2,5-dichlorophenyl)ethyl]hydrazine
CID 105317811
1-(2-chloro-6-fluorophenyl)-2-(2,4-dichlorophenyl)-N-ethylethanamine
CID 115839919

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2-chloro-6-fluorophenyl)-N-ethylethanamine?
The IUPAC name of 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2-chloro-6-fluorophenyl)-N-ethylethanamine (CID 105000219) is 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2-chloro-6-fluorophenyl)-N-ethylethanamine.
What is the SMILES notation for 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2-chloro-6-fluorophenyl)-N-ethylethanamine?
The canonical SMILES for 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2-chloro-6-fluorophenyl)-N-ethylethanamine is CCNC(Cc1c(Br)c(C)nn1C)c1c(F)cccc1Cl.
What is the InChIKey of 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2-chloro-6-fluorophenyl)-N-ethylethanamine?
The InChIKey is MBUYSNSFAGTSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrClFN3/c1-4-19-12(14-10(17)6-5-7-11(14)18)8-13-15(16)9(2)20-21(13)3/h5-7,12,19H,4,8H2,1-3H3.
What are the key properties of 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2-chloro-6-fluorophenyl)-N-ethylethanamine?
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2-chloro-6-fluorophenyl)-N-ethylethanamine has a molecular weight of 374.69 g/mol, XLogP of 4.18, 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-dimethylpyrazol-5-yl)-1-(2-chloro-6-fluorophenyl)-N-ethylethanamine is sourced from PubChem (CID 105000219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).