4-fluoro-1H-pyrazole-5-carbonitrile

C4H2FN3 — CID 22288727

IUPAC4-fluoro-1H-pyrazole-5-carbonitrile
SMILESN#Cc1[nH]ncc1F
InChIInChI=1S/C4H2FN3/c5-3-2-7-8-4(3)1-6/h2H,(H,7,8)
InChIKeyZEFOIINNRWAAOS-UHFFFAOYSA-N
MW111.08 g/mol
LogP0.42
Rot. Bonds

About 4-fluoro-1H-pyrazole-5-carbonitrile

4-fluoro-1H-pyrazole-5-carbonitrile (PubChem CID 22288727) has the molecular formula C4H2FN3 and a molecular weight of 111.08 g/mol. Its IUPAC name is 4-fluoro-1H-pyrazole-5-carbonitrile.

Molecular Properties

Compound Name4-fluoro-1H-pyrazole-5-carbonitrile
PubChem CID22288727
Molecular FormulaC4H2FN3
Molecular Weight111.08 g/mol
Exact Mass111.02
IUPAC Name4-fluoro-1H-pyrazole-5-carbonitrile
SMILESN#Cc1[nH]ncc1F
InChIInChI=1S/C4H2FN3/c5-3-2-7-8-4(3)1-6/h2H,(H,7,8)
InChIKeyZEFOIINNRWAAOS-UHFFFAOYSA-N
XLogP0.42
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.08
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1H-pyrazole-5-carbonitrile?
The IUPAC name of 4-fluoro-1H-pyrazole-5-carbonitrile (CID 22288727) is 4-fluoro-1H-pyrazole-5-carbonitrile.
What is the SMILES notation for 4-fluoro-1H-pyrazole-5-carbonitrile?
The canonical SMILES for 4-fluoro-1H-pyrazole-5-carbonitrile is N#Cc1[nH]ncc1F.
What is the InChIKey of 4-fluoro-1H-pyrazole-5-carbonitrile?
The InChIKey is ZEFOIINNRWAAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2FN3/c5-3-2-7-8-4(3)1-6/h2H,(H,7,8).
What are the key properties of 4-fluoro-1H-pyrazole-5-carbonitrile?
4-fluoro-1H-pyrazole-5-carbonitrile has a molecular weight of 111.08 g/mol, XLogP of 0.42, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1H-pyrazole-5-carbonitrile is sourced from PubChem (CID 22288727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).