5-(difluoromethyl)-1H-pyrazole

C4H4F2N2 — CID 23006208

IUPAC5-(difluoromethyl)-1H-pyrazole
SMILESFC(F)c1ccn[nH]1
InChIInChI=1S/C4H4F2N2/c5-4(6)3-1-2-7-8-3/h1-2,4H,(H,7,8)
InChIKeyIUUPOGSCBGSRNF-UHFFFAOYSA-N
MW118.09 g/mol
LogP1.35
Rot. Bonds1

About 5-(difluoromethyl)-1H-pyrazole

5-(difluoromethyl)-1H-pyrazole (PubChem CID 23006208) has the molecular formula C4H4F2N2 and a molecular weight of 118.09 g/mol. Its IUPAC name is 5-(difluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Name5-(difluoromethyl)-1H-pyrazole
PubChem CID23006208
Molecular FormulaC4H4F2N2
Molecular Weight118.09 g/mol
Exact Mass118.03
IUPAC Name5-(difluoromethyl)-1H-pyrazole
SMILESFC(F)c1ccn[nH]1
InChIInChI=1S/C4H4F2N2/c5-4(6)3-1-2-7-8-3/h1-2,4H,(H,7,8)
InChIKeyIUUPOGSCBGSRNF-UHFFFAOYSA-N
XLogP1.35
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.09
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-1H-pyrazole?
The IUPAC name of 5-(difluoromethyl)-1H-pyrazole (CID 23006208) is 5-(difluoromethyl)-1H-pyrazole.
What is the SMILES notation for 5-(difluoromethyl)-1H-pyrazole?
The canonical SMILES for 5-(difluoromethyl)-1H-pyrazole is FC(F)c1ccn[nH]1.
What is the InChIKey of 5-(difluoromethyl)-1H-pyrazole?
The InChIKey is IUUPOGSCBGSRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F2N2/c5-4(6)3-1-2-7-8-3/h1-2,4H,(H,7,8).
What are the key properties of 5-(difluoromethyl)-1H-pyrazole?
5-(difluoromethyl)-1H-pyrazole has a molecular weight of 118.09 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-1H-pyrazole is sourced from PubChem (CID 23006208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).