1-(difluoromethyl)pyrazole

C4H4F2N2 — CID 5253348

IUPAC1-(difluoromethyl)pyrazole
SMILESFC(F)n1cccn1
InChIInChI=1S/C4H4F2N2/c5-4(6)8-3-1-2-7-8/h1-4H
InChIKeyGYUFLTOWUVCCNO-UHFFFAOYSA-N
MW118.09 g/mol
LogP1.28
Rot. Bonds1

About 1-(difluoromethyl)pyrazole

1-(difluoromethyl)pyrazole (PubChem CID 5253348) has the molecular formula C4H4F2N2 and a molecular weight of 118.09 g/mol. Its IUPAC name is 1-(difluoromethyl)pyrazole.

Molecular Properties

Compound Name1-(difluoromethyl)pyrazole
PubChem CID5253348
Molecular FormulaC4H4F2N2
Molecular Weight118.09 g/mol
Exact Mass118.03
IUPAC Name1-(difluoromethyl)pyrazole
SMILESFC(F)n1cccn1
InChIInChI=1S/C4H4F2N2/c5-4(6)8-3-1-2-7-8/h1-4H
InChIKeyGYUFLTOWUVCCNO-UHFFFAOYSA-N
XLogP1.28
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.09
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)pyrazole?
The IUPAC name of 1-(difluoromethyl)pyrazole (CID 5253348) is 1-(difluoromethyl)pyrazole.
What is the SMILES notation for 1-(difluoromethyl)pyrazole?
The canonical SMILES for 1-(difluoromethyl)pyrazole is FC(F)n1cccn1.
What is the InChIKey of 1-(difluoromethyl)pyrazole?
The InChIKey is GYUFLTOWUVCCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F2N2/c5-4(6)8-3-1-2-7-8/h1-4H.
What are the key properties of 1-(difluoromethyl)pyrazole?
1-(difluoromethyl)pyrazole has a molecular weight of 118.09 g/mol, XLogP of 1.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)pyrazole is sourced from PubChem (CID 5253348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).