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

C14H17BrFN3 — CID 105025701

IUPAC1-(4-bromo-3-fluorophenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
SMILESCCNC(Cc1ccn(C)n1)c1ccc(Br)c(F)c1
InChIInChI=1S/C14H17BrFN3/c1-3-17-14(9-11-6-7-19(2)18-11)10-4-5-12(15)13(16)8-10/h4-8,14,17H,3,9H2,1-2H3
InChIKeyPSBHGHWJEALOGL-UHFFFAOYSA-N
MW326.21 g/mol
LogP3.21
Rot. Bonds5

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

1-(4-bromo-3-fluorophenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine (PubChem CID 105025701) has the molecular formula C14H17BrFN3 and a molecular weight of 326.21 g/mol. Its IUPAC name is 1-(4-bromo-3-fluorophenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(4-bromo-3-fluorophenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
PubChem CID105025701
Molecular FormulaC14H17BrFN3
Molecular Weight326.21 g/mol
Exact Mass325.06
IUPAC Name1-(4-bromo-3-fluorophenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
SMILESCCNC(Cc1ccn(C)n1)c1ccc(Br)c(F)c1
InChIInChI=1S/C14H17BrFN3/c1-3-17-14(9-11-6-7-19(2)18-11)10-4-5-12(15)13(16)8-10/h4-8,14,17H,3,9H2,1-2H3
InChIKeyPSBHGHWJEALOGL-UHFFFAOYSA-N
XLogP3.21
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.21
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dichlorophenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 82877569
1-(4-bromo-3-fluorophenyl)-2-(5-bromo-2-pyridinyl)-N-ethylethanamine
CID 105036487
1-(3-chloro-4-iodophenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 103216054
1-(5-chloro-2-fluorophenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 114886305
[1-(4-bromo-3-methylphenyl)-2-(1-methylpyrazol-3-yl)ethyl]hydrazine
CID 105329446
N-ethyl-1-(3-methoxy-4-methylphenyl)-2-(1-methylpyrazol-3-yl)ethanamine
CID 105025440
1-(2-bromophenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 82876321
1-(4-chloro-2-fluorophenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 82877800
1-(2-bromo-4-methylphenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 105025394
1-(4-bromo-3-fluorophenyl)-2-(3,5-difluorophenyl)-N-ethylethanamine
CID 105412447
N-ethyl-2-(1-methylpyrazol-3-yl)-1-(6-methyl-3-pyridinyl)ethanamine
CID 105175044
N-ethyl-2-(1-methylpyrazol-3-yl)-1-(2,3,4-trifluorophenyl)ethanamine
CID 105025325

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-fluorophenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine?
The IUPAC name of 1-(4-bromo-3-fluorophenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine (CID 105025701) is 1-(4-bromo-3-fluorophenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 1-(4-bromo-3-fluorophenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine?
The canonical SMILES for 1-(4-bromo-3-fluorophenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine is CCNC(Cc1ccn(C)n1)c1ccc(Br)c(F)c1.
What is the InChIKey of 1-(4-bromo-3-fluorophenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine?
The InChIKey is PSBHGHWJEALOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrFN3/c1-3-17-14(9-11-6-7-19(2)18-11)10-4-5-12(15)13(16)8-10/h4-8,14,17H,3,9H2,1-2H3.
What are the key properties of 1-(4-bromo-3-fluorophenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine?
1-(4-bromo-3-fluorophenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine has a molecular weight of 326.21 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-fluorophenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 105025701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).