4-(difluoromethyl)-5-(trifluoromethyl)-1H-pyrazole

C5H3F5N2 — CID 142795644

IUPAC4-(difluoromethyl)-5-(trifluoromethyl)-1H-pyrazole
SMILESFC(F)c1cn[nH]c1C(F)(F)F
InChIInChI=1S/C5H3F5N2/c6-4(7)2-1-11-12-3(2)5(8,9)10/h1,4H,(H,11,12)
InChIKeyIZEXJJFNPNWZRL-UHFFFAOYSA-N
MW186.08 g/mol
LogP2.37
Rot. Bonds1

About 4-(difluoromethyl)-5-(trifluoromethyl)-1H-pyrazole

4-(difluoromethyl)-5-(trifluoromethyl)-1H-pyrazole (PubChem CID 142795644) has the molecular formula C5H3F5N2 and a molecular weight of 186.08 g/mol. Its IUPAC name is 4-(difluoromethyl)-5-(trifluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Name4-(difluoromethyl)-5-(trifluoromethyl)-1H-pyrazole
PubChem CID142795644
Molecular FormulaC5H3F5N2
Molecular Weight186.08 g/mol
Exact Mass186.02
IUPAC Name4-(difluoromethyl)-5-(trifluoromethyl)-1H-pyrazole
SMILESFC(F)c1cn[nH]c1C(F)(F)F
InChIInChI=1S/C5H3F5N2/c6-4(7)2-1-11-12-3(2)5(8,9)10/h1,4H,(H,11,12)
InChIKeyIZEXJJFNPNWZRL-UHFFFAOYSA-N
XLogP2.37
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.08
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-5-(trifluoromethyl)-1H-pyrazole?
The IUPAC name of 4-(difluoromethyl)-5-(trifluoromethyl)-1H-pyrazole (CID 142795644) is 4-(difluoromethyl)-5-(trifluoromethyl)-1H-pyrazole.
What is the SMILES notation for 4-(difluoromethyl)-5-(trifluoromethyl)-1H-pyrazole?
The canonical SMILES for 4-(difluoromethyl)-5-(trifluoromethyl)-1H-pyrazole is FC(F)c1cn[nH]c1C(F)(F)F.
What is the InChIKey of 4-(difluoromethyl)-5-(trifluoromethyl)-1H-pyrazole?
The InChIKey is IZEXJJFNPNWZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F5N2/c6-4(7)2-1-11-12-3(2)5(8,9)10/h1,4H,(H,11,12).
What are the key properties of 4-(difluoromethyl)-5-(trifluoromethyl)-1H-pyrazole?
4-(difluoromethyl)-5-(trifluoromethyl)-1H-pyrazole has a molecular weight of 186.08 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-5-(trifluoromethyl)-1H-pyrazole is sourced from PubChem (CID 142795644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).