5-methyl-2-(2,2,2-trifluoroethyl)-3,4-dihydropyrazole

C6H9F3N2 — CID 88987023

IUPAC5-methyl-2-(2,2,2-trifluoroethyl)-3,4-dihydropyrazole
SMILESCC1=NN(CC(F)(F)F)CC1
InChIInChI=1S/C6H9F3N2/c1-5-2-3-11(10-5)4-6(7,8)9/h2-4H2,1H3
InChIKeyLUGMCTCKDASSDW-UHFFFAOYSA-N
MW166.15 g/mol
LogP1.63
Rot. Bonds1

About 5-methyl-2-(2,2,2-trifluoroethyl)-3,4-dihydropyrazole

5-methyl-2-(2,2,2-trifluoroethyl)-3,4-dihydropyrazole (PubChem CID 88987023) has the molecular formula C6H9F3N2 and a molecular weight of 166.15 g/mol. Its IUPAC name is 5-methyl-2-(2,2,2-trifluoroethyl)-3,4-dihydropyrazole.

Molecular Properties

Compound Name5-methyl-2-(2,2,2-trifluoroethyl)-3,4-dihydropyrazole
PubChem CID88987023
Molecular FormulaC6H9F3N2
Molecular Weight166.15 g/mol
Exact Mass166.07
IUPAC Name5-methyl-2-(2,2,2-trifluoroethyl)-3,4-dihydropyrazole
SMILESCC1=NN(CC(F)(F)F)CC1
InChIInChI=1S/C6H9F3N2/c1-5-2-3-11(10-5)4-6(7,8)9/h2-4H2,1H3
InChIKeyLUGMCTCKDASSDW-UHFFFAOYSA-N
XLogP1.63
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.15
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(2,2,2-trifluoroethyl)-3,4-dihydropyrazole?
The IUPAC name of 5-methyl-2-(2,2,2-trifluoroethyl)-3,4-dihydropyrazole (CID 88987023) is 5-methyl-2-(2,2,2-trifluoroethyl)-3,4-dihydropyrazole.
What is the SMILES notation for 5-methyl-2-(2,2,2-trifluoroethyl)-3,4-dihydropyrazole?
The canonical SMILES for 5-methyl-2-(2,2,2-trifluoroethyl)-3,4-dihydropyrazole is CC1=NN(CC(F)(F)F)CC1.
What is the InChIKey of 5-methyl-2-(2,2,2-trifluoroethyl)-3,4-dihydropyrazole?
The InChIKey is LUGMCTCKDASSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N2/c1-5-2-3-11(10-5)4-6(7,8)9/h2-4H2,1H3.
What are the key properties of 5-methyl-2-(2,2,2-trifluoroethyl)-3,4-dihydropyrazole?
5-methyl-2-(2,2,2-trifluoroethyl)-3,4-dihydropyrazole has a molecular weight of 166.15 g/mol, XLogP of 1.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(2,2,2-trifluoroethyl)-3,4-dihydropyrazole is sourced from PubChem (CID 88987023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).