4,5-bis(difluoromethyl)-1H-pyrazole

C5H4F4N2 — CID 66584178

IUPAC4,5-bis(difluoromethyl)-1H-pyrazole
SMILESFC(F)c1cn[nH]c1C(F)F
InChIInChI=1S/C5H4F4N2/c6-4(7)2-1-10-11-3(2)5(8)9/h1,4-5H,(H,10,11)
InChIKeyHZCILFPGKWLURL-UHFFFAOYSA-N
MW168.09 g/mol
LogP2.28
Rot. Bonds2

About 4,5-bis(difluoromethyl)-1H-pyrazole

4,5-bis(difluoromethyl)-1H-pyrazole (PubChem CID 66584178) has the molecular formula C5H4F4N2 and a molecular weight of 168.09 g/mol. Its IUPAC name is 4,5-bis(difluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Name4,5-bis(difluoromethyl)-1H-pyrazole
PubChem CID66584178
Molecular FormulaC5H4F4N2
Molecular Weight168.09 g/mol
Exact Mass168.03
IUPAC Name4,5-bis(difluoromethyl)-1H-pyrazole
SMILESFC(F)c1cn[nH]c1C(F)F
InChIInChI=1S/C5H4F4N2/c6-4(7)2-1-10-11-3(2)5(8)9/h1,4-5H,(H,10,11)
InChIKeyHZCILFPGKWLURL-UHFFFAOYSA-N
XLogP2.28
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.09
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,5-bis(difluoromethyl)-1H-pyrazole?
The IUPAC name of 4,5-bis(difluoromethyl)-1H-pyrazole (CID 66584178) is 4,5-bis(difluoromethyl)-1H-pyrazole.
What is the SMILES notation for 4,5-bis(difluoromethyl)-1H-pyrazole?
The canonical SMILES for 4,5-bis(difluoromethyl)-1H-pyrazole is FC(F)c1cn[nH]c1C(F)F.
What is the InChIKey of 4,5-bis(difluoromethyl)-1H-pyrazole?
The InChIKey is HZCILFPGKWLURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F4N2/c6-4(7)2-1-10-11-3(2)5(8)9/h1,4-5H,(H,10,11).
What are the key properties of 4,5-bis(difluoromethyl)-1H-pyrazole?
4,5-bis(difluoromethyl)-1H-pyrazole has a molecular weight of 168.09 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(difluoromethyl)-1H-pyrazole is sourced from PubChem (CID 66584178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).