3,5-bis(difluoromethyl)-1H-pyrazole

C5H4F4N2 — CID 7019433

IUPAC3,5-bis(difluoromethyl)-1H-pyrazole
SMILESFC(F)c1cc(C(F)F)[nH]n1
InChIInChI=1S/C5H4F4N2/c6-4(7)2-1-3(5(8)9)11-10-2/h1,4-5H,(H,10,11)
InChIKeyYYPFZXBEOCAFDL-UHFFFAOYSA-N
MW168.09 g/mol
LogP2.28
Rot. Bonds2

About 3,5-bis(difluoromethyl)-1H-pyrazole

3,5-bis(difluoromethyl)-1H-pyrazole (PubChem CID 7019433) has the molecular formula C5H4F4N2 and a molecular weight of 168.09 g/mol. Its IUPAC name is 3,5-bis(difluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Name3,5-bis(difluoromethyl)-1H-pyrazole
PubChem CID7019433
Molecular FormulaC5H4F4N2
Molecular Weight168.09 g/mol
Exact Mass168.03
IUPAC Name3,5-bis(difluoromethyl)-1H-pyrazole
SMILESFC(F)c1cc(C(F)F)[nH]n1
InChIInChI=1S/C5H4F4N2/c6-4(7)2-1-3(5(8)9)11-10-2/h1,4-5H,(H,10,11)
InChIKeyYYPFZXBEOCAFDL-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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Related Compounds

3,5-Dimethylpyrazole
CID 6210
1H-Pyrazole, 3-methyl-5-(trifluoromethyl)-
CID 139077
3,5-Bis(trifluoromethyl)pyrazole
CID 518991
3-Methyl-5-(trifluoromethyl)-1H-pyrazol-4-amine
CID 17024655
4-Fluoro-3,5-dimethyl-1H-pyrazole
CID 19382744
5-cyclopropyl-3-(difluoromethyl)-1H-pyrazole
CID 7147403
3,5-diethyl-1H-pyrazole
CID 4306367
1H-Pyrazole-3,5-dicarbonitrile
CID 68584615
5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazole
CID 7147438
3-(bromomethyl)-5-(trifluoromethyl)-1H-pyrazole
CID 12462055
(3-methyl-1H-pyrazol-5-yl)methanamine
CID 7446898
3-(Heptafluoropropyl)-5-methyl-1H-pyrazole
CID 2774945

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(difluoromethyl)-1H-pyrazole?
The IUPAC name of 3,5-bis(difluoromethyl)-1H-pyrazole (CID 7019433) is 3,5-bis(difluoromethyl)-1H-pyrazole.
What is the SMILES notation for 3,5-bis(difluoromethyl)-1H-pyrazole?
The canonical SMILES for 3,5-bis(difluoromethyl)-1H-pyrazole is FC(F)c1cc(C(F)F)[nH]n1.
What is the InChIKey of 3,5-bis(difluoromethyl)-1H-pyrazole?
The InChIKey is YYPFZXBEOCAFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F4N2/c6-4(7)2-1-3(5(8)9)11-10-2/h1,4-5H,(H,10,11).
What are the key properties of 3,5-bis(difluoromethyl)-1H-pyrazole?
3,5-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 3,5-bis(difluoromethyl)-1H-pyrazole is sourced from PubChem (CID 7019433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).