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

C6H7F3N2 — CID 67424302

IUPAC5-methyl-3-(1,1,2-trifluoroethyl)-1H-pyrazole
SMILESCc1cc(C(F)(F)CF)n[nH]1
InChIInChI=1S/C6H7F3N2/c1-4-2-5(11-10-4)6(8,9)3-7/h2H,3H2,1H3,(H,10,11)
InChIKeyJMGNUAQCIHEBSP-UHFFFAOYSA-N
MW164.13 g/mol
LogP1.78
Rot. Bonds2

About 5-methyl-3-(1,1,2-trifluoroethyl)-1H-pyrazole

5-methyl-3-(1,1,2-trifluoroethyl)-1H-pyrazole (PubChem CID 67424302) has the molecular formula C6H7F3N2 and a molecular weight of 164.13 g/mol. Its IUPAC name is 5-methyl-3-(1,1,2-trifluoroethyl)-1H-pyrazole.

Molecular Properties

Compound Name5-methyl-3-(1,1,2-trifluoroethyl)-1H-pyrazole
PubChem CID67424302
Molecular FormulaC6H7F3N2
Molecular Weight164.13 g/mol
Exact Mass164.06
IUPAC Name5-methyl-3-(1,1,2-trifluoroethyl)-1H-pyrazole
SMILESCc1cc(C(F)(F)CF)n[nH]1
InChIInChI=1S/C6H7F3N2/c1-4-2-5(11-10-4)6(8,9)3-7/h2H,3H2,1H3,(H,10,11)
InChIKeyJMGNUAQCIHEBSP-UHFFFAOYSA-N
XLogP1.78
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.13
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(1,1,2-trifluoroethyl)-1H-pyrazole?
The IUPAC name of 5-methyl-3-(1,1,2-trifluoroethyl)-1H-pyrazole (CID 67424302) is 5-methyl-3-(1,1,2-trifluoroethyl)-1H-pyrazole.
What is the SMILES notation for 5-methyl-3-(1,1,2-trifluoroethyl)-1H-pyrazole?
The canonical SMILES for 5-methyl-3-(1,1,2-trifluoroethyl)-1H-pyrazole is Cc1cc(C(F)(F)CF)n[nH]1.
What is the InChIKey of 5-methyl-3-(1,1,2-trifluoroethyl)-1H-pyrazole?
The InChIKey is JMGNUAQCIHEBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2/c1-4-2-5(11-10-4)6(8,9)3-7/h2H,3H2,1H3,(H,10,11).
What are the key properties of 5-methyl-3-(1,1,2-trifluoroethyl)-1H-pyrazole?
5-methyl-3-(1,1,2-trifluoroethyl)-1H-pyrazole has a molecular weight of 164.13 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(1,1,2-trifluoroethyl)-1H-pyrazole is sourced from PubChem (CID 67424302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).