1-[4-(5-bromopyrazol-1-yl)phenyl]ethanamine

C11H12BrN3 — CID 117419109

IUPAC1-[4-(5-bromopyrazol-1-yl)phenyl]ethanamine
SMILESCC(N)c1ccc(-n2nccc2Br)cc1
InChIInChI=1S/C11H12BrN3/c1-8(13)9-2-4-10(5-3-9)15-11(12)6-7-14-15/h2-8H,13H2,1H3
InChIKeyBOAWAVXPEDPLNC-UHFFFAOYSA-N
MW266.14 g/mol
LogP2.65
Rot. Bonds2

About 1-[4-(5-bromopyrazol-1-yl)phenyl]ethanamine

1-[4-(5-bromopyrazol-1-yl)phenyl]ethanamine (PubChem CID 117419109) has the molecular formula C11H12BrN3 and a molecular weight of 266.14 g/mol. Its IUPAC name is 1-[4-(5-bromopyrazol-1-yl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[4-(5-bromopyrazol-1-yl)phenyl]ethanamine
PubChem CID117419109
Molecular FormulaC11H12BrN3
Molecular Weight266.14 g/mol
Exact Mass265.02
IUPAC Name1-[4-(5-bromopyrazol-1-yl)phenyl]ethanamine
SMILESCC(N)c1ccc(-n2nccc2Br)cc1
InChIInChI=1S/C11H12BrN3/c1-8(13)9-2-4-10(5-3-9)15-11(12)6-7-14-15/h2-8H,13H2,1H3
InChIKeyBOAWAVXPEDPLNC-UHFFFAOYSA-N
XLogP2.65
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.14
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(5-chloropyrazol-1-yl)phenyl]ethanamine
CID 117317347
5-bromo-1-(4-bromophenyl)pyrazole
CID 79020245
5-bromo-1-(4-methoxyphenyl)pyrazole
CID 79020309
3-amino-2-[4-(5-bromopyrazol-1-yl)phenyl]propanoic acid
CID 117494740
1-[4-(2-phenylpyrazol-3-yl)phenyl]ethanamine
CID 107331022
1-[4-(4-bromo-3,5-dimethylpyrazol-1-yl)phenyl]ethanamine
CID 62128723
(1R)-1-[4-(4-bromo-3,5-dimethylpyrazol-1-yl)phenyl]ethanamine
CID 63369059
(1R)-1-[4-(3,4,5-trimethylpyrazol-1-yl)phenyl]ethanamine
CID 78937591
2-[4-(5-bromopyrazol-1-yl)phenyl]-2-methylpropan-1-ol
CID 117475728
1-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]ethanamine
CID 61348071
(1S)-1-(4-bromophenyl)ethanamine;hydrochloride
CID 53484870
4-[4-(5-bromopyrazol-1-yl)phenyl]-1,2-oxazol-5-amine
CID 117490335

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-bromopyrazol-1-yl)phenyl]ethanamine?
The IUPAC name of 1-[4-(5-bromopyrazol-1-yl)phenyl]ethanamine (CID 117419109) is 1-[4-(5-bromopyrazol-1-yl)phenyl]ethanamine.
What is the SMILES notation for 1-[4-(5-bromopyrazol-1-yl)phenyl]ethanamine?
The canonical SMILES for 1-[4-(5-bromopyrazol-1-yl)phenyl]ethanamine is CC(N)c1ccc(-n2nccc2Br)cc1.
What is the InChIKey of 1-[4-(5-bromopyrazol-1-yl)phenyl]ethanamine?
The InChIKey is BOAWAVXPEDPLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3/c1-8(13)9-2-4-10(5-3-9)15-11(12)6-7-14-15/h2-8H,13H2,1H3.
What are the key properties of 1-[4-(5-bromopyrazol-1-yl)phenyl]ethanamine?
1-[4-(5-bromopyrazol-1-yl)phenyl]ethanamine has a molecular weight of 266.14 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-bromopyrazol-1-yl)phenyl]ethanamine is sourced from PubChem (CID 117419109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).