1,4-dimethyl-3,5-bis(trifluoromethyl)pyrazole

C7H6F6N2 — CID 88882448

IUPAC1,4-dimethyl-3,5-bis(trifluoromethyl)pyrazole
SMILESCc1c(C(F)(F)F)nn(C)c1C(F)(F)F
InChIInChI=1S/C7H6F6N2/c1-3-4(6(8,9)10)14-15(2)5(3)7(11,12)13/h1-2H3
InChIKeySUWYXBGZNMLHKA-UHFFFAOYSA-N
MW232.13 g/mol
LogP2.77
Rot. Bonds

About 1,4-dimethyl-3,5-bis(trifluoromethyl)pyrazole

1,4-dimethyl-3,5-bis(trifluoromethyl)pyrazole (PubChem CID 88882448) has the molecular formula C7H6F6N2 and a molecular weight of 232.13 g/mol. Its IUPAC name is 1,4-dimethyl-3,5-bis(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1,4-dimethyl-3,5-bis(trifluoromethyl)pyrazole
PubChem CID88882448
Molecular FormulaC7H6F6N2
Molecular Weight232.13 g/mol
Exact Mass232.04
IUPAC Name1,4-dimethyl-3,5-bis(trifluoromethyl)pyrazole
SMILESCc1c(C(F)(F)F)nn(C)c1C(F)(F)F
InChIInChI=1S/C7H6F6N2/c1-3-4(6(8,9)10)14-15(2)5(3)7(11,12)13/h1-2H3
InChIKeySUWYXBGZNMLHKA-UHFFFAOYSA-N
XLogP2.77
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.13
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-3,5-bis(trifluoromethyl)pyrazole?
The IUPAC name of 1,4-dimethyl-3,5-bis(trifluoromethyl)pyrazole (CID 88882448) is 1,4-dimethyl-3,5-bis(trifluoromethyl)pyrazole.
What is the SMILES notation for 1,4-dimethyl-3,5-bis(trifluoromethyl)pyrazole?
The canonical SMILES for 1,4-dimethyl-3,5-bis(trifluoromethyl)pyrazole is Cc1c(C(F)(F)F)nn(C)c1C(F)(F)F.
What is the InChIKey of 1,4-dimethyl-3,5-bis(trifluoromethyl)pyrazole?
The InChIKey is SUWYXBGZNMLHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F6N2/c1-3-4(6(8,9)10)14-15(2)5(3)7(11,12)13/h1-2H3.
What are the key properties of 1,4-dimethyl-3,5-bis(trifluoromethyl)pyrazole?
1,4-dimethyl-3,5-bis(trifluoromethyl)pyrazole has a molecular weight of 232.13 g/mol, XLogP of 2.77, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-3,5-bis(trifluoromethyl)pyrazole is sourced from PubChem (CID 88882448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).