5-fluoro-1H-pyrazol-4-amine

C3H4FN3 — CID 45116615

IUPAC5-fluoro-1H-pyrazol-4-amine
SMILESNc1cn[nH]c1F
InChIInChI=1S/C3H4FN3/c4-3-2(5)1-6-7-3/h1H,5H2,(H,6,7)
InChIKeyRWTOHNNXKJMRJI-UHFFFAOYSA-N
MW101.08 g/mol
LogP0.13
Rot. Bonds

About 5-fluoro-1H-pyrazol-4-amine

5-fluoro-1H-pyrazol-4-amine (PubChem CID 45116615) has the molecular formula C3H4FN3 and a molecular weight of 101.08 g/mol. Its IUPAC name is 5-fluoro-1H-pyrazol-4-amine.

Molecular Properties

Compound Name5-fluoro-1H-pyrazol-4-amine
PubChem CID45116615
Molecular FormulaC3H4FN3
Molecular Weight101.08 g/mol
Exact Mass101.04
IUPAC Name5-fluoro-1H-pyrazol-4-amine
SMILESNc1cn[nH]c1F
InChIInChI=1S/C3H4FN3/c4-3-2(5)1-6-7-3/h1H,5H2,(H,6,7)
InChIKeyRWTOHNNXKJMRJI-UHFFFAOYSA-N
XLogP0.13
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.08
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1H-pyrazol-4-amine?
The IUPAC name of 5-fluoro-1H-pyrazol-4-amine (CID 45116615) is 5-fluoro-1H-pyrazol-4-amine.
What is the SMILES notation for 5-fluoro-1H-pyrazol-4-amine?
The canonical SMILES for 5-fluoro-1H-pyrazol-4-amine is Nc1cn[nH]c1F.
What is the InChIKey of 5-fluoro-1H-pyrazol-4-amine?
The InChIKey is RWTOHNNXKJMRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4FN3/c4-3-2(5)1-6-7-3/h1H,5H2,(H,6,7).
What are the key properties of 5-fluoro-1H-pyrazol-4-amine?
5-fluoro-1H-pyrazol-4-amine has a molecular weight of 101.08 g/mol, XLogP of 0.13, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1H-pyrazol-4-amine is sourced from PubChem (CID 45116615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).