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

C10H8Br2FN3 — CID 61175428

IUPAC4-bromo-1-[(5-bromo-2-fluorophenyl)methyl]pyrazol-3-amine
SMILESNc1nn(Cc2cc(Br)ccc2F)cc1Br
InChIInChI=1S/C10H8Br2FN3/c11-7-1-2-9(13)6(3-7)4-16-5-8(12)10(14)15-16/h1-3,5H,4H2,(H2,14,15)
InChIKeyVKSOKHXSOAVTLJ-UHFFFAOYSA-N
MW349.00 g/mol
LogP3.18
Rot. Bonds2

About 4-bromo-1-[(5-bromo-2-fluorophenyl)methyl]pyrazol-3-amine

4-bromo-1-[(5-bromo-2-fluorophenyl)methyl]pyrazol-3-amine (PubChem CID 61175428) has the molecular formula C10H8Br2FN3 and a molecular weight of 349.00 g/mol. Its IUPAC name is 4-bromo-1-[(5-bromo-2-fluorophenyl)methyl]pyrazol-3-amine.

Molecular Properties

Compound Name4-bromo-1-[(5-bromo-2-fluorophenyl)methyl]pyrazol-3-amine
PubChem CID61175428
Molecular FormulaC10H8Br2FN3
Molecular Weight349.00 g/mol
Exact Mass346.91
IUPAC Name4-bromo-1-[(5-bromo-2-fluorophenyl)methyl]pyrazol-3-amine
SMILESNc1nn(Cc2cc(Br)ccc2F)cc1Br
InChIInChI=1S/C10H8Br2FN3/c11-7-1-2-9(13)6(3-7)4-16-5-8(12)10(14)15-16/h1-3,5H,4H2,(H2,14,15)
InChIKeyVKSOKHXSOAVTLJ-UHFFFAOYSA-N
XLogP3.18
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.00
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-1-[(2,5-dichlorophenyl)methyl]pyrazol-3-amine
CID 65317657
1-[(5-bromo-2-fluorophenyl)methyl]pyrazole-4-carboxylic acid
CID 43565358
4-[(5-bromo-2-fluorophenyl)methyl]-1H-1,2,4-triazol-5-one
CID 107410570
1-[(5-bromo-2-fluorophenyl)methyl]-3-nitropyrazole-4-sulfonyl chloride
CID 115371415
5-bromo-3-[(5-bromo-2-fluorophenyl)methyl]pyrimidin-4-one
CID 66309355
1-[1-[(5-bromo-2-fluorophenyl)methyl]triazol-4-yl]butan-1-amine
CID 106228788
5-bromo-1-[(5-bromo-2-fluorophenyl)methyl]pyridin-2-one
CID 47214230
1-[1-[(5-bromo-2-fluorophenyl)methyl]triazol-4-yl]-2,2,2-trifluoroethanone
CID 62581065
[1-[(5-bromo-2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methanamine
CID 43647471
3-amino-1-[(5-bromo-2-fluorophenyl)methyl]pyridin-2-one
CID 55035567
4-bromo-1-[(1-methylpyrazol-3-yl)methyl]pyrazol-3-amine
CID 82866303
1-[1-[(5-bromo-2-fluorophenyl)methyl]pyrazol-4-yl]-N-ethylethanamine
CID 62731055

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-[(5-bromo-2-fluorophenyl)methyl]pyrazol-3-amine?
The IUPAC name of 4-bromo-1-[(5-bromo-2-fluorophenyl)methyl]pyrazol-3-amine (CID 61175428) is 4-bromo-1-[(5-bromo-2-fluorophenyl)methyl]pyrazol-3-amine.
What is the SMILES notation for 4-bromo-1-[(5-bromo-2-fluorophenyl)methyl]pyrazol-3-amine?
The canonical SMILES for 4-bromo-1-[(5-bromo-2-fluorophenyl)methyl]pyrazol-3-amine is Nc1nn(Cc2cc(Br)ccc2F)cc1Br.
What is the InChIKey of 4-bromo-1-[(5-bromo-2-fluorophenyl)methyl]pyrazol-3-amine?
The InChIKey is VKSOKHXSOAVTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Br2FN3/c11-7-1-2-9(13)6(3-7)4-16-5-8(12)10(14)15-16/h1-3,5H,4H2,(H2,14,15).
What are the key properties of 4-bromo-1-[(5-bromo-2-fluorophenyl)methyl]pyrazol-3-amine?
4-bromo-1-[(5-bromo-2-fluorophenyl)methyl]pyrazol-3-amine has a molecular weight of 349.00 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-[(5-bromo-2-fluorophenyl)methyl]pyrazol-3-amine is sourced from PubChem (CID 61175428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).