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

C5H2F6N2 — CID 18006160

IUPAC4,5-bis(trifluoromethyl)-1H-pyrazole
SMILESFC(F)(F)c1cn[nH]c1C(F)(F)F
InChIInChI=1S/C5H2F6N2/c6-4(7,8)2-1-12-13-3(2)5(9,10)11/h1H,(H,12,13)
InChIKeyOERNNUCUUZXPBL-UHFFFAOYSA-N
MW204.07 g/mol
LogP2.45
Rot. Bonds

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

4,5-bis(trifluoromethyl)-1H-pyrazole (PubChem CID 18006160) has the molecular formula C5H2F6N2 and a molecular weight of 204.07 g/mol. Its IUPAC name is 4,5-bis(trifluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Name4,5-bis(trifluoromethyl)-1H-pyrazole
PubChem CID18006160
Molecular FormulaC5H2F6N2
Molecular Weight204.07 g/mol
Exact Mass204.01
IUPAC Name4,5-bis(trifluoromethyl)-1H-pyrazole
SMILESFC(F)(F)c1cn[nH]c1C(F)(F)F
InChIInChI=1S/C5H2F6N2/c6-4(7,8)2-1-12-13-3(2)5(9,10)11/h1H,(H,12,13)
InChIKeyOERNNUCUUZXPBL-UHFFFAOYSA-N
XLogP2.45
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.07
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,5-bis(trifluoromethyl)-1H-pyrazole?
The IUPAC name of 4,5-bis(trifluoromethyl)-1H-pyrazole (CID 18006160) is 4,5-bis(trifluoromethyl)-1H-pyrazole.
What is the SMILES notation for 4,5-bis(trifluoromethyl)-1H-pyrazole?
The canonical SMILES for 4,5-bis(trifluoromethyl)-1H-pyrazole is FC(F)(F)c1cn[nH]c1C(F)(F)F.
What is the InChIKey of 4,5-bis(trifluoromethyl)-1H-pyrazole?
The InChIKey is OERNNUCUUZXPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2F6N2/c6-4(7,8)2-1-12-13-3(2)5(9,10)11/h1H,(H,12,13).
What are the key properties of 4,5-bis(trifluoromethyl)-1H-pyrazole?
4,5-bis(trifluoromethyl)-1H-pyrazole has a molecular weight of 204.07 g/mol, XLogP of 2.45, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(trifluoromethyl)-1H-pyrazole is sourced from PubChem (CID 18006160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).