3-methyl-1-(2,2,2-trifluoroethyl)pyrazole

C6H7F3N2 — CID 55278619

IUPAC3-methyl-1-(2,2,2-trifluoroethyl)pyrazole
SMILESCc1ccn(CC(F)(F)F)n1
InChIInChI=1S/C6H7F3N2/c1-5-2-3-11(10-5)4-6(7,8)9/h2-3H,4H2,1H3
InChIKeyXTXHZXHPTVXQJA-UHFFFAOYSA-N
MW164.13 g/mol
LogP1.75
Rot. Bonds1

About 3-methyl-1-(2,2,2-trifluoroethyl)pyrazole

3-methyl-1-(2,2,2-trifluoroethyl)pyrazole (PubChem CID 55278619) has the molecular formula C6H7F3N2 and a molecular weight of 164.13 g/mol. Its IUPAC name is 3-methyl-1-(2,2,2-trifluoroethyl)pyrazole.

Molecular Properties

Compound Name3-methyl-1-(2,2,2-trifluoroethyl)pyrazole
PubChem CID55278619
Molecular FormulaC6H7F3N2
Molecular Weight164.13 g/mol
Exact Mass164.06
IUPAC Name3-methyl-1-(2,2,2-trifluoroethyl)pyrazole
SMILESCc1ccn(CC(F)(F)F)n1
InChIInChI=1S/C6H7F3N2/c1-5-2-3-11(10-5)4-6(7,8)9/h2-3H,4H2,1H3
InChIKeyXTXHZXHPTVXQJA-UHFFFAOYSA-N
XLogP1.75
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
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 3-methyl-1-(2,2,2-trifluoroethyl)pyrazole?
The IUPAC name of 3-methyl-1-(2,2,2-trifluoroethyl)pyrazole (CID 55278619) is 3-methyl-1-(2,2,2-trifluoroethyl)pyrazole.
What is the SMILES notation for 3-methyl-1-(2,2,2-trifluoroethyl)pyrazole?
The canonical SMILES for 3-methyl-1-(2,2,2-trifluoroethyl)pyrazole is Cc1ccn(CC(F)(F)F)n1.
What is the InChIKey of 3-methyl-1-(2,2,2-trifluoroethyl)pyrazole?
The InChIKey is XTXHZXHPTVXQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2/c1-5-2-3-11(10-5)4-6(7,8)9/h2-3H,4H2,1H3.
What are the key properties of 3-methyl-1-(2,2,2-trifluoroethyl)pyrazole?
3-methyl-1-(2,2,2-trifluoroethyl)pyrazole has a molecular weight of 164.13 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2,2,2-trifluoroethyl)pyrazole is sourced from PubChem (CID 55278619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).