5-fluoro-N-methyl-1H-pyrazol-3-amine

C4H6FN3 — CID 164600172

IUPAC5-fluoro-N-methyl-1H-pyrazol-3-amine
SMILESCNc1cc(F)[nH]n1
InChIInChI=1S/C4H6FN3/c1-6-4-2-3(5)7-8-4/h2H,1H3,(H2,6,7,8)
InChIKeyBHSJQGTYKDVHAS-UHFFFAOYSA-N
MW115.11 g/mol
LogP0.59
Rot. Bonds1

About 5-fluoro-N-methyl-1H-pyrazol-3-amine

5-fluoro-N-methyl-1H-pyrazol-3-amine (PubChem CID 164600172) has the molecular formula C4H6FN3 and a molecular weight of 115.11 g/mol. Its IUPAC name is 5-fluoro-N-methyl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-fluoro-N-methyl-1H-pyrazol-3-amine
PubChem CID164600172
Molecular FormulaC4H6FN3
Molecular Weight115.11 g/mol
Exact Mass115.05
IUPAC Name5-fluoro-N-methyl-1H-pyrazol-3-amine
SMILESCNc1cc(F)[nH]n1
InChIInChI=1S/C4H6FN3/c1-6-4-2-3(5)7-8-4/h2H,1H3,(H2,6,7,8)
InChIKeyBHSJQGTYKDVHAS-UHFFFAOYSA-N
XLogP0.59
TPSA40.71 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 ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-methyl-1H-pyrazol-3-amine?
The IUPAC name of 5-fluoro-N-methyl-1H-pyrazol-3-amine (CID 164600172) is 5-fluoro-N-methyl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-fluoro-N-methyl-1H-pyrazol-3-amine?
The canonical SMILES for 5-fluoro-N-methyl-1H-pyrazol-3-amine is CNc1cc(F)[nH]n1.
What is the InChIKey of 5-fluoro-N-methyl-1H-pyrazol-3-amine?
The InChIKey is BHSJQGTYKDVHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6FN3/c1-6-4-2-3(5)7-8-4/h2H,1H3,(H2,6,7,8).
What are the key properties of 5-fluoro-N-methyl-1H-pyrazol-3-amine?
5-fluoro-N-methyl-1H-pyrazol-3-amine has a molecular weight of 115.11 g/mol, XLogP of 0.59, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-methyl-1H-pyrazol-3-amine is sourced from PubChem (CID 164600172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).