1-fluoropyrazol-3-amine

C3H4FN3 — CID 68737025

IUPAC1-fluoropyrazol-3-amine
SMILESNc1ccn(F)n1
InChIInChI=1S/C3H4FN3/c4-7-2-1-3(5)6-7/h1-2H,(H2,5,6)
InChIKeyISCLGSQCFCDLLZ-UHFFFAOYSA-N
MW101.08 g/mol
LogP0.20
Rot. Bonds

About 1-fluoropyrazol-3-amine

1-fluoropyrazol-3-amine (PubChem CID 68737025) has the molecular formula C3H4FN3 and a molecular weight of 101.08 g/mol. Its IUPAC name is 1-fluoropyrazol-3-amine.

Molecular Properties

Compound Name1-fluoropyrazol-3-amine
PubChem CID68737025
Molecular FormulaC3H4FN3
Molecular Weight101.08 g/mol
Exact Mass101.04
IUPAC Name1-fluoropyrazol-3-amine
SMILESNc1ccn(F)n1
InChIInChI=1S/C3H4FN3/c4-7-2-1-3(5)6-7/h1-2H,(H2,5,6)
InChIKeyISCLGSQCFCDLLZ-UHFFFAOYSA-N
XLogP0.20
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.08
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-fluoropyrazol-3-amine?
The IUPAC name of 1-fluoropyrazol-3-amine (CID 68737025) is 1-fluoropyrazol-3-amine.
What is the SMILES notation for 1-fluoropyrazol-3-amine?
The canonical SMILES for 1-fluoropyrazol-3-amine is Nc1ccn(F)n1.
What is the InChIKey of 1-fluoropyrazol-3-amine?
The InChIKey is ISCLGSQCFCDLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4FN3/c4-7-2-1-3(5)6-7/h1-2H,(H2,5,6).
What are the key properties of 1-fluoropyrazol-3-amine?
1-fluoropyrazol-3-amine has a molecular weight of 101.08 g/mol, XLogP of 0.20, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoropyrazol-3-amine is sourced from PubChem (CID 68737025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).