4-fluoro-1,3-dimethylpyrazol-5-amine

C5H8FN3 — CID 86126002

IUPAC4-fluoro-1,3-dimethylpyrazol-5-amine
SMILESCc1nn(C)c(N)c1F
InChIInChI=1S/C5H8FN3/c1-3-4(6)5(7)9(2)8-3/h7H2,1-2H3
InChIKeyFLUKBSYSJHBUNC-UHFFFAOYSA-N
MW129.14 g/mol
LogP0.45
Rot. Bonds

About 4-fluoro-1,3-dimethylpyrazol-5-amine

4-fluoro-1,3-dimethylpyrazol-5-amine (PubChem CID 86126002) has the molecular formula C5H8FN3 and a molecular weight of 129.14 g/mol. Its IUPAC name is 4-fluoro-1,3-dimethylpyrazol-5-amine.

Molecular Properties

Compound Name4-fluoro-1,3-dimethylpyrazol-5-amine
PubChem CID86126002
Molecular FormulaC5H8FN3
Molecular Weight129.14 g/mol
Exact Mass129.07
IUPAC Name4-fluoro-1,3-dimethylpyrazol-5-amine
SMILESCc1nn(C)c(N)c1F
InChIInChI=1S/C5H8FN3/c1-3-4(6)5(7)9(2)8-3/h7H2,1-2H3
InChIKeyFLUKBSYSJHBUNC-UHFFFAOYSA-N
XLogP0.45
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.14
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1,3-dimethylpyrazol-5-amine?
The IUPAC name of 4-fluoro-1,3-dimethylpyrazol-5-amine (CID 86126002) is 4-fluoro-1,3-dimethylpyrazol-5-amine.
What is the SMILES notation for 4-fluoro-1,3-dimethylpyrazol-5-amine?
The canonical SMILES for 4-fluoro-1,3-dimethylpyrazol-5-amine is Cc1nn(C)c(N)c1F.
What is the InChIKey of 4-fluoro-1,3-dimethylpyrazol-5-amine?
The InChIKey is FLUKBSYSJHBUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FN3/c1-3-4(6)5(7)9(2)8-3/h7H2,1-2H3.
What are the key properties of 4-fluoro-1,3-dimethylpyrazol-5-amine?
4-fluoro-1,3-dimethylpyrazol-5-amine has a molecular weight of 129.14 g/mol, XLogP of 0.45, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1,3-dimethylpyrazol-5-amine is sourced from PubChem (CID 86126002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).