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

C6H7F3N2 — CID 15420924

IUPAC1,4-dimethyl-5-(trifluoromethyl)pyrazole
SMILESCc1cnn(C)c1C(F)(F)F
InChIInChI=1S/C6H7F3N2/c1-4-3-10-11(2)5(4)6(7,8)9/h3H,1-2H3
InChIKeyOZBONDCTIORCMK-UHFFFAOYSA-N
MW164.13 g/mol
LogP1.75
Rot. Bonds

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

1,4-dimethyl-5-(trifluoromethyl)pyrazole (PubChem CID 15420924) has the molecular formula C6H7F3N2 and a molecular weight of 164.13 g/mol. Its IUPAC name is 1,4-dimethyl-5-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1,4-dimethyl-5-(trifluoromethyl)pyrazole
PubChem CID15420924
Molecular FormulaC6H7F3N2
Molecular Weight164.13 g/mol
Exact Mass164.06
IUPAC Name1,4-dimethyl-5-(trifluoromethyl)pyrazole
SMILESCc1cnn(C)c1C(F)(F)F
InChIInChI=1S/C6H7F3N2/c1-4-3-10-11(2)5(4)6(7,8)9/h3H,1-2H3
InChIKeyOZBONDCTIORCMK-UHFFFAOYSA-N
XLogP1.75
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.13
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-5-(trifluoromethyl)pyrazole?
The IUPAC name of 1,4-dimethyl-5-(trifluoromethyl)pyrazole (CID 15420924) is 1,4-dimethyl-5-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1,4-dimethyl-5-(trifluoromethyl)pyrazole?
The canonical SMILES for 1,4-dimethyl-5-(trifluoromethyl)pyrazole is Cc1cnn(C)c1C(F)(F)F.
What is the InChIKey of 1,4-dimethyl-5-(trifluoromethyl)pyrazole?
The InChIKey is OZBONDCTIORCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2/c1-4-3-10-11(2)5(4)6(7,8)9/h3H,1-2H3.
What are the key properties of 1,4-dimethyl-5-(trifluoromethyl)pyrazole?
1,4-dimethyl-5-(trifluoromethyl)pyrazole has a molecular weight of 164.13 g/mol, XLogP of 1.75, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-5-(trifluoromethyl)pyrazole is sourced from PubChem (CID 15420924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).