1-fluoro-5-methylpyrazol-3-amine

C4H6FN3 — CID 118173839

IUPAC1-fluoro-5-methylpyrazol-3-amine
SMILESCc1cc(N)nn1F
InChIInChI=1S/C4H6FN3/c1-3-2-4(6)7-8(3)5/h2H,1H3,(H2,6,7)
InChIKeyDQRWDBARNQSVBM-UHFFFAOYSA-N
MW115.11 g/mol
LogP0.51
Rot. Bonds

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

1-fluoro-5-methylpyrazol-3-amine (PubChem CID 118173839) has the molecular formula C4H6FN3 and a molecular weight of 115.11 g/mol. Its IUPAC name is 1-fluoro-5-methylpyrazol-3-amine.

Molecular Properties

Compound Name1-fluoro-5-methylpyrazol-3-amine
PubChem CID118173839
Molecular FormulaC4H6FN3
Molecular Weight115.11 g/mol
Exact Mass115.05
IUPAC Name1-fluoro-5-methylpyrazol-3-amine
SMILESCc1cc(N)nn1F
InChIInChI=1S/C4H6FN3/c1-3-2-4(6)7-8(3)5/h2H,1H3,(H2,6,7)
InChIKeyDQRWDBARNQSVBM-UHFFFAOYSA-N
XLogP0.51
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.11
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-5-methylpyrazol-3-amine?
The IUPAC name of 1-fluoro-5-methylpyrazol-3-amine (CID 118173839) is 1-fluoro-5-methylpyrazol-3-amine.
What is the SMILES notation for 1-fluoro-5-methylpyrazol-3-amine?
The canonical SMILES for 1-fluoro-5-methylpyrazol-3-amine is Cc1cc(N)nn1F.
What is the InChIKey of 1-fluoro-5-methylpyrazol-3-amine?
The InChIKey is DQRWDBARNQSVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6FN3/c1-3-2-4(6)7-8(3)5/h2H,1H3,(H2,6,7).
What are the key properties of 1-fluoro-5-methylpyrazol-3-amine?
1-fluoro-5-methylpyrazol-3-amine has a molecular weight of 115.11 g/mol, XLogP of 0.51, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-5-methylpyrazol-3-amine is sourced from PubChem (CID 118173839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).