1-[(2-bromo-5-fluorophenyl)methyl]-5-methylpyrazol-3-amine

C11H11BrFN3 — CID 51000352

IUPAC1-[(2-bromo-5-fluorophenyl)methyl]-5-methylpyrazol-3-amine
SMILESCc1cc(N)nn1Cc1cc(F)ccc1Br
InChIInChI=1S/C11H11BrFN3/c1-7-4-11(14)15-16(7)6-8-5-9(13)2-3-10(8)12/h2-5H,6H2,1H3,(H2,14,15)
InChIKeyIGGWLCATHQYLMR-UHFFFAOYSA-N
MW284.13 g/mol
LogP2.72
Rot. Bonds2

About 1-[(2-bromo-5-fluorophenyl)methyl]-5-methylpyrazol-3-amine

1-[(2-bromo-5-fluorophenyl)methyl]-5-methylpyrazol-3-amine (PubChem CID 51000352) has the molecular formula C11H11BrFN3 and a molecular weight of 284.13 g/mol. Its IUPAC name is 1-[(2-bromo-5-fluorophenyl)methyl]-5-methylpyrazol-3-amine.

Molecular Properties

Compound Name1-[(2-bromo-5-fluorophenyl)methyl]-5-methylpyrazol-3-amine
PubChem CID51000352
Molecular FormulaC11H11BrFN3
Molecular Weight284.13 g/mol
Exact Mass283.01
IUPAC Name1-[(2-bromo-5-fluorophenyl)methyl]-5-methylpyrazol-3-amine
SMILESCc1cc(N)nn1Cc1cc(F)ccc1Br
InChIInChI=1S/C11H11BrFN3/c1-7-4-11(14)15-16(7)6-8-5-9(13)2-3-10(8)12/h2-5H,6H2,1H3,(H2,14,15)
InChIKeyIGGWLCATHQYLMR-UHFFFAOYSA-N
XLogP2.72
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.13
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-amino-5-methylpyrazol-1-yl)methyl]-4-fluorobenzonitrile
CID 114253268
[1-[(2-bromo-5-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methanamine
CID 62728744
5-methyl-1-[(2-methylphenyl)methyl]pyrazol-3-amine
CID 7017840
4-[(3-amino-5-methylpyrazol-1-yl)methyl]-3-fluorobenzonitrile
CID 114253283
1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-amine
CID 7017721
[1-[(2-bromo-5-fluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanamine
CID 82697692
1-[(2-chloro-5-fluorophenyl)methyl]-3,5-dimethylpyrazole
CID 102620265
1-[1-[(2-bromo-5-fluorophenyl)methyl]-3,5-diethylpyrazol-4-yl]ethanol
CID 82698544
1-[(2,5-difluorophenyl)methyl]-5-methylpyrazole-3-carboxamide
CID 90351323
1-[1-[(2-bromo-5-fluorophenyl)methyl]pyrazol-4-yl]-N-methylethanamine
CID 62731601
2-[(5-fluoro-2-methylphenyl)methyl]triazol-4-amine
CID 165479941
4-bromo-1-[(2,5-difluorophenyl)methyl]-3,5-dimethylpyrazole
CID 62128749

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromo-5-fluorophenyl)methyl]-5-methylpyrazol-3-amine?
The IUPAC name of 1-[(2-bromo-5-fluorophenyl)methyl]-5-methylpyrazol-3-amine (CID 51000352) is 1-[(2-bromo-5-fluorophenyl)methyl]-5-methylpyrazol-3-amine.
What is the SMILES notation for 1-[(2-bromo-5-fluorophenyl)methyl]-5-methylpyrazol-3-amine?
The canonical SMILES for 1-[(2-bromo-5-fluorophenyl)methyl]-5-methylpyrazol-3-amine is Cc1cc(N)nn1Cc1cc(F)ccc1Br.
What is the InChIKey of 1-[(2-bromo-5-fluorophenyl)methyl]-5-methylpyrazol-3-amine?
The InChIKey is IGGWLCATHQYLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFN3/c1-7-4-11(14)15-16(7)6-8-5-9(13)2-3-10(8)12/h2-5H,6H2,1H3,(H2,14,15).
What are the key properties of 1-[(2-bromo-5-fluorophenyl)methyl]-5-methylpyrazol-3-amine?
1-[(2-bromo-5-fluorophenyl)methyl]-5-methylpyrazol-3-amine has a molecular weight of 284.13 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromo-5-fluorophenyl)methyl]-5-methylpyrazol-3-amine is sourced from PubChem (CID 51000352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).