1-(3-bromo-4-fluorophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine

C14H17BrFN3 — CID 82809655

IUPAC1-(3-bromo-4-fluorophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
SMILESCCn1nc(C)cc1CC(N)c1ccc(F)c(Br)c1
InChIInChI=1S/C14H17BrFN3/c1-3-19-11(6-9(2)18-19)8-14(17)10-4-5-13(16)12(15)7-10/h4-7,14H,3,8,17H2,1-2H3
InChIKeyRDRNTMAPPXBKAX-UHFFFAOYSA-N
MW326.21 g/mol
LogP3.36
Rot. Bonds4

About 1-(3-bromo-4-fluorophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine

1-(3-bromo-4-fluorophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine (PubChem CID 82809655) has the molecular formula C14H17BrFN3 and a molecular weight of 326.21 g/mol. Its IUPAC name is 1-(3-bromo-4-fluorophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(3-bromo-4-fluorophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
PubChem CID82809655
Molecular FormulaC14H17BrFN3
Molecular Weight326.21 g/mol
Exact Mass325.06
IUPAC Name1-(3-bromo-4-fluorophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
SMILESCCn1nc(C)cc1CC(N)c1ccc(F)c(Br)c1
InChIInChI=1S/C14H17BrFN3/c1-3-19-11(6-9(2)18-19)8-14(17)10-4-5-13(16)12(15)7-10/h4-7,14H,3,8,17H2,1-2H3
InChIKeyRDRNTMAPPXBKAX-UHFFFAOYSA-N
XLogP3.36
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.21
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-4-methoxyphenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105002735
1-(4-bromo-3-chlorophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105002755
1-(3-chloro-4-methylphenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105002629
1-(2,5-dibromophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105002899
2-(2-ethyl-5-methylpyrazol-3-yl)-1-(4-fluoro-2-methylphenyl)ethanamine
CID 81279154
(1R)-1-(3-bromo-4-fluorophenyl)butan-1-amine
CID 79021010
1-(3-bromo-4-fluorophenyl)butan-1-amine
CID 79016413
(1S)-1-(3-bromo-4-fluorophenyl)butan-1-amine
CID 79020953
2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(3-bromo-4-methylphenyl)ethanamine
CID 104998153
(1S)-1-(3-bromo-4-fluorophenyl)pentan-1-amine
CID 146013246
1-(2-bromo-4-fluorophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanol
CID 115816454
1-(3-chlorothiophen-2-yl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105002800

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-fluorophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine?
The IUPAC name of 1-(3-bromo-4-fluorophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine (CID 82809655) is 1-(3-bromo-4-fluorophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 1-(3-bromo-4-fluorophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine?
The canonical SMILES for 1-(3-bromo-4-fluorophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine is CCn1nc(C)cc1CC(N)c1ccc(F)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-fluorophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine?
The InChIKey is RDRNTMAPPXBKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrFN3/c1-3-19-11(6-9(2)18-19)8-14(17)10-4-5-13(16)12(15)7-10/h4-7,14H,3,8,17H2,1-2H3.
What are the key properties of 1-(3-bromo-4-fluorophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine?
1-(3-bromo-4-fluorophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine has a molecular weight of 326.21 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-fluorophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 82809655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).