1-fluoropyrazole

C3H3FN2 — CID 18614771

IUPAC1-fluoropyrazole
SMILESFn1cccn1
InChIInChI=1S/C3H3FN2/c4-6-3-1-2-5-6/h1-3H
InChIKeyBBQQEMXFEYVNRF-UHFFFAOYSA-N
MW86.07 g/mol
LogP0.62
Rot. Bonds

About 1-fluoropyrazole

1-fluoropyrazole (PubChem CID 18614771) has the molecular formula C3H3FN2 and a molecular weight of 86.07 g/mol. Its IUPAC name is 1-fluoropyrazole.

Molecular Properties

Compound Name1-fluoropyrazole
PubChem CID18614771
Molecular FormulaC3H3FN2
Molecular Weight86.07 g/mol
Exact Mass86.03
IUPAC Name1-fluoropyrazole
SMILESFn1cccn1
InChIInChI=1S/C3H3FN2/c4-6-3-1-2-5-6/h1-3H
InChIKeyBBQQEMXFEYVNRF-UHFFFAOYSA-N
XLogP0.62
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.07
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-fluoropyrazole?
The IUPAC name of 1-fluoropyrazole (CID 18614771) is 1-fluoropyrazole.
What is the SMILES notation for 1-fluoropyrazole?
The canonical SMILES for 1-fluoropyrazole is Fn1cccn1.
What is the InChIKey of 1-fluoropyrazole?
The InChIKey is BBQQEMXFEYVNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3FN2/c4-6-3-1-2-5-6/h1-3H.
What are the key properties of 1-fluoropyrazole?
1-fluoropyrazole has a molecular weight of 86.07 g/mol, XLogP of 0.62, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoropyrazole is sourced from PubChem (CID 18614771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).