2-methyl-4-(trifluoromethyl)-1,5-dihydropyrazole

C5H7F3N2 — CID 123519924

IUPAC2-methyl-4-(trifluoromethyl)-1,5-dihydropyrazole
SMILESCN1C=C(C(F)(F)F)CN1
InChIInChI=1S/C5H7F3N2/c1-10-3-4(2-9-10)5(6,7)8/h3,9H,2H2,1H3
InChIKeyVGCZXIRBWJGEIX-UHFFFAOYSA-N
MW152.12 g/mol
LogP0.88
Rot. Bonds

About 2-methyl-4-(trifluoromethyl)-1,5-dihydropyrazole

2-methyl-4-(trifluoromethyl)-1,5-dihydropyrazole (PubChem CID 123519924) has the molecular formula C5H7F3N2 and a molecular weight of 152.12 g/mol. Its IUPAC name is 2-methyl-4-(trifluoromethyl)-1,5-dihydropyrazole.

Molecular Properties

Compound Name2-methyl-4-(trifluoromethyl)-1,5-dihydropyrazole
PubChem CID123519924
Molecular FormulaC5H7F3N2
Molecular Weight152.12 g/mol
Exact Mass152.06
IUPAC Name2-methyl-4-(trifluoromethyl)-1,5-dihydropyrazole
SMILESCN1C=C(C(F)(F)F)CN1
InChIInChI=1S/C5H7F3N2/c1-10-3-4(2-9-10)5(6,7)8/h3,9H,2H2,1H3
InChIKeyVGCZXIRBWJGEIX-UHFFFAOYSA-N
XLogP0.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.12
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(trifluoromethyl)-1,5-dihydropyrazole?
The IUPAC name of 2-methyl-4-(trifluoromethyl)-1,5-dihydropyrazole (CID 123519924) is 2-methyl-4-(trifluoromethyl)-1,5-dihydropyrazole.
What is the SMILES notation for 2-methyl-4-(trifluoromethyl)-1,5-dihydropyrazole?
The canonical SMILES for 2-methyl-4-(trifluoromethyl)-1,5-dihydropyrazole is CN1C=C(C(F)(F)F)CN1.
What is the InChIKey of 2-methyl-4-(trifluoromethyl)-1,5-dihydropyrazole?
The InChIKey is VGCZXIRBWJGEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3N2/c1-10-3-4(2-9-10)5(6,7)8/h3,9H,2H2,1H3.
What are the key properties of 2-methyl-4-(trifluoromethyl)-1,5-dihydropyrazole?
2-methyl-4-(trifluoromethyl)-1,5-dihydropyrazole has a molecular weight of 152.12 g/mol, XLogP of 0.88, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(trifluoromethyl)-1,5-dihydropyrazole is sourced from PubChem (CID 123519924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).