1,3,5-trimethyl-4-(trifluoromethyl)pyrazole

C7H9F3N2 — CID 22980766

IUPAC1,3,5-trimethyl-4-(trifluoromethyl)pyrazole
SMILESCc1nn(C)c(C)c1C(F)(F)F
InChIInChI=1S/C7H9F3N2/c1-4-6(7(8,9)10)5(2)12(3)11-4/h1-3H3
InChIKeyWXQPYWKCHPKNRB-UHFFFAOYSA-N
MW178.16 g/mol
LogP2.06
Rot. Bonds

About 1,3,5-trimethyl-4-(trifluoromethyl)pyrazole

1,3,5-trimethyl-4-(trifluoromethyl)pyrazole (PubChem CID 22980766) has the molecular formula C7H9F3N2 and a molecular weight of 178.16 g/mol. Its IUPAC name is 1,3,5-trimethyl-4-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1,3,5-trimethyl-4-(trifluoromethyl)pyrazole
PubChem CID22980766
Molecular FormulaC7H9F3N2
Molecular Weight178.16 g/mol
Exact Mass178.07
IUPAC Name1,3,5-trimethyl-4-(trifluoromethyl)pyrazole
SMILESCc1nn(C)c(C)c1C(F)(F)F
InChIInChI=1S/C7H9F3N2/c1-4-6(7(8,9)10)5(2)12(3)11-4/h1-3H3
InChIKeyWXQPYWKCHPKNRB-UHFFFAOYSA-N
XLogP2.06
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.16
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-4-(trifluoromethyl)pyrazole?
The IUPAC name of 1,3,5-trimethyl-4-(trifluoromethyl)pyrazole (CID 22980766) is 1,3,5-trimethyl-4-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1,3,5-trimethyl-4-(trifluoromethyl)pyrazole?
The canonical SMILES for 1,3,5-trimethyl-4-(trifluoromethyl)pyrazole is Cc1nn(C)c(C)c1C(F)(F)F.
What is the InChIKey of 1,3,5-trimethyl-4-(trifluoromethyl)pyrazole?
The InChIKey is WXQPYWKCHPKNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2/c1-4-6(7(8,9)10)5(2)12(3)11-4/h1-3H3.
What are the key properties of 1,3,5-trimethyl-4-(trifluoromethyl)pyrazole?
1,3,5-trimethyl-4-(trifluoromethyl)pyrazole has a molecular weight of 178.16 g/mol, XLogP of 2.06, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-4-(trifluoromethyl)pyrazole is sourced from PubChem (CID 22980766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).