2,3-dimethyl-5-(trifluoromethyl)-3,4-dihydropyrazole

C6H9F3N2 — CID 67953910

IUPAC2,3-dimethyl-5-(trifluoromethyl)-3,4-dihydropyrazole
SMILESCC1CC(C(F)(F)F)=NN1C
InChIInChI=1S/C6H9F3N2/c1-4-3-5(6(7,8)9)10-11(4)2/h4H,3H2,1-2H3
InChIKeyRLWLNVFCZIUVLI-UHFFFAOYSA-N
MW166.15 g/mol
LogP1.63
Rot. Bonds

About 2,3-dimethyl-5-(trifluoromethyl)-3,4-dihydropyrazole

2,3-dimethyl-5-(trifluoromethyl)-3,4-dihydropyrazole (PubChem CID 67953910) has the molecular formula C6H9F3N2 and a molecular weight of 166.15 g/mol. Its IUPAC name is 2,3-dimethyl-5-(trifluoromethyl)-3,4-dihydropyrazole.

Molecular Properties

Compound Name2,3-dimethyl-5-(trifluoromethyl)-3,4-dihydropyrazole
PubChem CID67953910
Molecular FormulaC6H9F3N2
Molecular Weight166.15 g/mol
Exact Mass166.07
IUPAC Name2,3-dimethyl-5-(trifluoromethyl)-3,4-dihydropyrazole
SMILESCC1CC(C(F)(F)F)=NN1C
InChIInChI=1S/C6H9F3N2/c1-4-3-5(6(7,8)9)10-11(4)2/h4H,3H2,1-2H3
InChIKeyRLWLNVFCZIUVLI-UHFFFAOYSA-N
XLogP1.63
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
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 2,3-dimethyl-5-(trifluoromethyl)-3,4-dihydropyrazole?
The IUPAC name of 2,3-dimethyl-5-(trifluoromethyl)-3,4-dihydropyrazole (CID 67953910) is 2,3-dimethyl-5-(trifluoromethyl)-3,4-dihydropyrazole.
What is the SMILES notation for 2,3-dimethyl-5-(trifluoromethyl)-3,4-dihydropyrazole?
The canonical SMILES for 2,3-dimethyl-5-(trifluoromethyl)-3,4-dihydropyrazole is CC1CC(C(F)(F)F)=NN1C.
What is the InChIKey of 2,3-dimethyl-5-(trifluoromethyl)-3,4-dihydropyrazole?
The InChIKey is RLWLNVFCZIUVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N2/c1-4-3-5(6(7,8)9)10-11(4)2/h4H,3H2,1-2H3.
What are the key properties of 2,3-dimethyl-5-(trifluoromethyl)-3,4-dihydropyrazole?
2,3-dimethyl-5-(trifluoromethyl)-3,4-dihydropyrazole has a molecular weight of 166.15 g/mol, XLogP of 1.63, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-5-(trifluoromethyl)-3,4-dihydropyrazole is sourced from PubChem (CID 67953910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).