2-[4-bromo-5-(2-fluorophenyl)pyrazol-1-yl]ethanamine

C11H11BrFN3 — CID 84812788

IUPAC2-[4-bromo-5-(2-fluorophenyl)pyrazol-1-yl]ethanamine
SMILESNCCn1ncc(Br)c1-c1ccccc1F
InChIInChI=1S/C11H11BrFN3/c12-9-7-15-16(6-5-14)11(9)8-3-1-2-4-10(8)13/h1-4,7H,5-6,14H2
InChIKeyDMHZSHYLHBOFSU-UHFFFAOYSA-N
MW284.13 g/mol
LogP2.41
Rot. Bonds3

About 2-[4-bromo-5-(2-fluorophenyl)pyrazol-1-yl]ethanamine

2-[4-bromo-5-(2-fluorophenyl)pyrazol-1-yl]ethanamine (PubChem CID 84812788) has the molecular formula C11H11BrFN3 and a molecular weight of 284.13 g/mol. Its IUPAC name is 2-[4-bromo-5-(2-fluorophenyl)pyrazol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-bromo-5-(2-fluorophenyl)pyrazol-1-yl]ethanamine
PubChem CID84812788
Molecular FormulaC11H11BrFN3
Molecular Weight284.13 g/mol
Exact Mass283.01
IUPAC Name2-[4-bromo-5-(2-fluorophenyl)pyrazol-1-yl]ethanamine
SMILESNCCn1ncc(Br)c1-c1ccccc1F
InChIInChI=1S/C11H11BrFN3/c12-9-7-15-16(6-5-14)11(9)8-3-1-2-4-10(8)13/h1-4,7H,5-6,14H2
InChIKeyDMHZSHYLHBOFSU-UHFFFAOYSA-N
XLogP2.41
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.13
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[5-(2-fluorophenyl)triazol-1-yl]propan-1-amine
CID 115031941
[1-butyl-5-(2-fluorophenyl)triazol-4-yl]methanamine
CID 82205505
[5-(2-fluorophenyl)-1-(3-methylbutyl)triazol-4-yl]methanamine
CID 82208417
[5-(2-fluorophenyl)-3-methyltriazol-4-yl]methanamine
CID 105458542
2-[5-(2-fluorophenyl)tetrazol-2-yl]ethanamine;hydrochloride
CID 154856464
1-bromo-2-[2-(2-fluorophenyl)phenyl]benzene
CID 168811602
2-(4,5-dihydrofuro[2,3-g]indazol-1-yl)ethanamine;hydrochloride
CID 21196726
4-[5-(2-fluorophenyl)tetrazol-1-yl]butan-1-amine
CID 84758985
[5-(2-fluorophenyl)-1-phenyltriazol-4-yl]methanamine
CID 82200276
[1,5-bis(2-fluorophenyl)triazol-4-yl]methanamine
CID 82196565
4-(4-bromo-1-propylpyrazol-5-yl)aniline
CID 106505841
2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]ethanamine
CID 65178588

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-5-(2-fluorophenyl)pyrazol-1-yl]ethanamine?
The IUPAC name of 2-[4-bromo-5-(2-fluorophenyl)pyrazol-1-yl]ethanamine (CID 84812788) is 2-[4-bromo-5-(2-fluorophenyl)pyrazol-1-yl]ethanamine.
What is the SMILES notation for 2-[4-bromo-5-(2-fluorophenyl)pyrazol-1-yl]ethanamine?
The canonical SMILES for 2-[4-bromo-5-(2-fluorophenyl)pyrazol-1-yl]ethanamine is NCCn1ncc(Br)c1-c1ccccc1F.
What is the InChIKey of 2-[4-bromo-5-(2-fluorophenyl)pyrazol-1-yl]ethanamine?
The InChIKey is DMHZSHYLHBOFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFN3/c12-9-7-15-16(6-5-14)11(9)8-3-1-2-4-10(8)13/h1-4,7H,5-6,14H2.
What are the key properties of 2-[4-bromo-5-(2-fluorophenyl)pyrazol-1-yl]ethanamine?
2-[4-bromo-5-(2-fluorophenyl)pyrazol-1-yl]ethanamine has a molecular weight of 284.13 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-5-(2-fluorophenyl)pyrazol-1-yl]ethanamine is sourced from PubChem (CID 84812788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).