5-(fluoromethyl)-1H-pyrazol-3-amine

C4H6FN3 — CID 118199928

IUPAC5-(fluoromethyl)-1H-pyrazol-3-amine
SMILESNc1cc(CF)[nH]n1
InChIInChI=1S/C4H6FN3/c5-2-3-1-4(6)8-7-3/h1H,2H2,(H3,6,7,8)
InChIKeyFEJNOGLNVGUDHY-UHFFFAOYSA-N
MW115.11 g/mol
LogP0.46
Rot. Bonds1

About 5-(fluoromethyl)-1H-pyrazol-3-amine

5-(fluoromethyl)-1H-pyrazol-3-amine (PubChem CID 118199928) has the molecular formula C4H6FN3 and a molecular weight of 115.11 g/mol. Its IUPAC name is 5-(fluoromethyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(fluoromethyl)-1H-pyrazol-3-amine
PubChem CID118199928
Molecular FormulaC4H6FN3
Molecular Weight115.11 g/mol
Exact Mass115.05
IUPAC Name5-(fluoromethyl)-1H-pyrazol-3-amine
SMILESNc1cc(CF)[nH]n1
InChIInChI=1S/C4H6FN3/c5-2-3-1-4(6)8-7-3/h1H,2H2,(H3,6,7,8)
InChIKeyFEJNOGLNVGUDHY-UHFFFAOYSA-N
XLogP0.46
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.11
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(fluoromethyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(fluoromethyl)-1H-pyrazol-3-amine (CID 118199928) is 5-(fluoromethyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(fluoromethyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(fluoromethyl)-1H-pyrazol-3-amine is Nc1cc(CF)[nH]n1.
What is the InChIKey of 5-(fluoromethyl)-1H-pyrazol-3-amine?
The InChIKey is FEJNOGLNVGUDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6FN3/c5-2-3-1-4(6)8-7-3/h1H,2H2,(H3,6,7,8).
What are the key properties of 5-(fluoromethyl)-1H-pyrazol-3-amine?
5-(fluoromethyl)-1H-pyrazol-3-amine has a molecular weight of 115.11 g/mol, XLogP of 0.46, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(fluoromethyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 118199928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).