1,3-bis(trifluoromethyl)pyrazole

C5H2F6N2 — CID 18006161

IUPAC1,3-bis(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1ccn(C(F)(F)F)n1
InChIInChI=1S/C5H2F6N2/c6-4(7,8)3-1-2-13(12-3)5(9,10)11/h1-2H
InChIKeyRJMOERZHCDSPNJ-UHFFFAOYSA-N
MW204.07 g/mol
LogP2.38
Rot. Bonds

About 1,3-bis(trifluoromethyl)pyrazole

1,3-bis(trifluoromethyl)pyrazole (PubChem CID 18006161) has the molecular formula C5H2F6N2 and a molecular weight of 204.07 g/mol. Its IUPAC name is 1,3-bis(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1,3-bis(trifluoromethyl)pyrazole
PubChem CID18006161
Molecular FormulaC5H2F6N2
Molecular Weight204.07 g/mol
Exact Mass204.01
IUPAC Name1,3-bis(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1ccn(C(F)(F)F)n1
InChIInChI=1S/C5H2F6N2/c6-4(7,8)3-1-2-13(12-3)5(9,10)11/h1-2H
InChIKeyRJMOERZHCDSPNJ-UHFFFAOYSA-N
XLogP2.38
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.07
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(trifluoromethyl)pyrazole?
The IUPAC name of 1,3-bis(trifluoromethyl)pyrazole (CID 18006161) is 1,3-bis(trifluoromethyl)pyrazole.
What is the SMILES notation for 1,3-bis(trifluoromethyl)pyrazole?
The canonical SMILES for 1,3-bis(trifluoromethyl)pyrazole is FC(F)(F)c1ccn(C(F)(F)F)n1.
What is the InChIKey of 1,3-bis(trifluoromethyl)pyrazole?
The InChIKey is RJMOERZHCDSPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2F6N2/c6-4(7,8)3-1-2-13(12-3)5(9,10)11/h1-2H.
What are the key properties of 1,3-bis(trifluoromethyl)pyrazole?
1,3-bis(trifluoromethyl)pyrazole has a molecular weight of 204.07 g/mol, XLogP of 2.38, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(trifluoromethyl)pyrazole is sourced from PubChem (CID 18006161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).