4-bromo-5-fluoro-1-methylpyrazol-3-amine

C4H5BrFN3 — CID 171315938

IUPAC4-bromo-5-fluoro-1-methylpyrazol-3-amine
SMILESCn1nc(N)c(Br)c1F
InChIInChI=1S/C4H5BrFN3/c1-9-3(6)2(5)4(7)8-9/h1H3,(H2,7,8)
InChIKeyPLHURZAOLDTSNV-UHFFFAOYSA-N
MW194.01 g/mol
LogP0.90
Rot. Bonds

About 4-bromo-5-fluoro-1-methylpyrazol-3-amine

4-bromo-5-fluoro-1-methylpyrazol-3-amine (PubChem CID 171315938) has the molecular formula C4H5BrFN3 and a molecular weight of 194.01 g/mol. Its IUPAC name is 4-bromo-5-fluoro-1-methylpyrazol-3-amine.

Molecular Properties

Compound Name4-bromo-5-fluoro-1-methylpyrazol-3-amine
PubChem CID171315938
Molecular FormulaC4H5BrFN3
Molecular Weight194.01 g/mol
Exact Mass192.97
IUPAC Name4-bromo-5-fluoro-1-methylpyrazol-3-amine
SMILESCn1nc(N)c(Br)c1F
InChIInChI=1S/C4H5BrFN3/c1-9-3(6)2(5)4(7)8-9/h1H3,(H2,7,8)
InChIKeyPLHURZAOLDTSNV-UHFFFAOYSA-N
XLogP0.90
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.01
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-fluoro-1-methylpyrazol-3-amine?
The IUPAC name of 4-bromo-5-fluoro-1-methylpyrazol-3-amine (CID 171315938) is 4-bromo-5-fluoro-1-methylpyrazol-3-amine.
What is the SMILES notation for 4-bromo-5-fluoro-1-methylpyrazol-3-amine?
The canonical SMILES for 4-bromo-5-fluoro-1-methylpyrazol-3-amine is Cn1nc(N)c(Br)c1F.
What is the InChIKey of 4-bromo-5-fluoro-1-methylpyrazol-3-amine?
The InChIKey is PLHURZAOLDTSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5BrFN3/c1-9-3(6)2(5)4(7)8-9/h1H3,(H2,7,8).
What are the key properties of 4-bromo-5-fluoro-1-methylpyrazol-3-amine?
4-bromo-5-fluoro-1-methylpyrazol-3-amine has a molecular weight of 194.01 g/mol, XLogP of 0.90, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-fluoro-1-methylpyrazol-3-amine is sourced from PubChem (CID 171315938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).