3-fluoro-1-methylpyrazol-5-amine

C4H6FN3 — CID 154561990

IUPAC3-fluoro-1-methylpyrazol-5-amine
SMILESCn1nc(F)cc1N
InChIInChI=1S/C4H6FN3/c1-8-4(6)2-3(5)7-8/h2H,6H2,1H3
InChIKeyZJEKGFQHWAPHKA-UHFFFAOYSA-N
MW115.11 g/mol
LogP0.14
Rot. Bonds

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

3-fluoro-1-methylpyrazol-5-amine (PubChem CID 154561990) has the molecular formula C4H6FN3 and a molecular weight of 115.11 g/mol. Its IUPAC name is 3-fluoro-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-fluoro-1-methylpyrazol-5-amine
PubChem CID154561990
Molecular FormulaC4H6FN3
Molecular Weight115.11 g/mol
Exact Mass115.05
IUPAC Name3-fluoro-1-methylpyrazol-5-amine
SMILESCn1nc(F)cc1N
InChIInChI=1S/C4H6FN3/c1-8-4(6)2-3(5)7-8/h2H,6H2,1H3
InChIKeyZJEKGFQHWAPHKA-UHFFFAOYSA-N
XLogP0.14
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 ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-methylpyrazol-5-amine?
The IUPAC name of 3-fluoro-1-methylpyrazol-5-amine (CID 154561990) is 3-fluoro-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-fluoro-1-methylpyrazol-5-amine?
The canonical SMILES for 3-fluoro-1-methylpyrazol-5-amine is Cn1nc(F)cc1N.
What is the InChIKey of 3-fluoro-1-methylpyrazol-5-amine?
The InChIKey is ZJEKGFQHWAPHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6FN3/c1-8-4(6)2-3(5)7-8/h2H,6H2,1H3.
What are the key properties of 3-fluoro-1-methylpyrazol-5-amine?
3-fluoro-1-methylpyrazol-5-amine has a molecular weight of 115.11 g/mol, XLogP of 0.14, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-methylpyrazol-5-amine is sourced from PubChem (CID 154561990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).