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

C6H7F3N2 — CID 12747525

IUPAC1,5-dimethyl-3-(trifluoromethyl)pyrazole
SMILESCc1cc(C(F)(F)F)nn1C
InChIInChI=1S/C6H7F3N2/c1-4-3-5(6(7,8)9)10-11(4)2/h3H,1-2H3
InChIKeyLGTRXZPAYGKNLP-UHFFFAOYSA-N
MW164.13 g/mol
LogP1.75
Rot. Bonds

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

1,5-dimethyl-3-(trifluoromethyl)pyrazole (PubChem CID 12747525) has the molecular formula C6H7F3N2 and a molecular weight of 164.13 g/mol. Its IUPAC name is 1,5-dimethyl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1,5-dimethyl-3-(trifluoromethyl)pyrazole
PubChem CID12747525
Molecular FormulaC6H7F3N2
Molecular Weight164.13 g/mol
Exact Mass164.06
IUPAC Name1,5-dimethyl-3-(trifluoromethyl)pyrazole
SMILESCc1cc(C(F)(F)F)nn1C
InChIInChI=1S/C6H7F3N2/c1-4-3-5(6(7,8)9)10-11(4)2/h3H,1-2H3
InChIKeyLGTRXZPAYGKNLP-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 1,5-dimethyl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1,5-dimethyl-3-(trifluoromethyl)pyrazole (CID 12747525) is 1,5-dimethyl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1,5-dimethyl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1,5-dimethyl-3-(trifluoromethyl)pyrazole is Cc1cc(C(F)(F)F)nn1C.
What is the InChIKey of 1,5-dimethyl-3-(trifluoromethyl)pyrazole?
The InChIKey is LGTRXZPAYGKNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2/c1-4-3-5(6(7,8)9)10-11(4)2/h3H,1-2H3.
What are the key properties of 1,5-dimethyl-3-(trifluoromethyl)pyrazole?
1,5-dimethyl-3-(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 1,5-dimethyl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 12747525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).