2-methyl-3-(trifluoromethyl)-3,4-dihydropyrazole

C5H7F3N2 — CID 12982051

IUPAC2-methyl-3-(trifluoromethyl)-3,4-dihydropyrazole
SMILESCN1N=CCC1C(F)(F)F
InChIInChI=1S/C5H7F3N2/c1-10-4(2-3-9-10)5(6,7)8/h3-4H,2H2,1H3
InChIKeyQDXGRPUVANKSGI-UHFFFAOYSA-N
MW152.12 g/mol
LogP1.24
Rot. Bonds

About 2-methyl-3-(trifluoromethyl)-3,4-dihydropyrazole

2-methyl-3-(trifluoromethyl)-3,4-dihydropyrazole (PubChem CID 12982051) has the molecular formula C5H7F3N2 and a molecular weight of 152.12 g/mol. Its IUPAC name is 2-methyl-3-(trifluoromethyl)-3,4-dihydropyrazole.

Molecular Properties

Compound Name2-methyl-3-(trifluoromethyl)-3,4-dihydropyrazole
PubChem CID12982051
Molecular FormulaC5H7F3N2
Molecular Weight152.12 g/mol
Exact Mass152.06
IUPAC Name2-methyl-3-(trifluoromethyl)-3,4-dihydropyrazole
SMILESCN1N=CCC1C(F)(F)F
InChIInChI=1S/C5H7F3N2/c1-10-4(2-3-9-10)5(6,7)8/h3-4H,2H2,1H3
InChIKeyQDXGRPUVANKSGI-UHFFFAOYSA-N
XLogP1.24
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.12
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(trifluoromethyl)-3,4-dihydropyrazole?
The IUPAC name of 2-methyl-3-(trifluoromethyl)-3,4-dihydropyrazole (CID 12982051) is 2-methyl-3-(trifluoromethyl)-3,4-dihydropyrazole.
What is the SMILES notation for 2-methyl-3-(trifluoromethyl)-3,4-dihydropyrazole?
The canonical SMILES for 2-methyl-3-(trifluoromethyl)-3,4-dihydropyrazole is CN1N=CCC1C(F)(F)F.
What is the InChIKey of 2-methyl-3-(trifluoromethyl)-3,4-dihydropyrazole?
The InChIKey is QDXGRPUVANKSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3N2/c1-10-4(2-3-9-10)5(6,7)8/h3-4H,2H2,1H3.
What are the key properties of 2-methyl-3-(trifluoromethyl)-3,4-dihydropyrazole?
2-methyl-3-(trifluoromethyl)-3,4-dihydropyrazole has a molecular weight of 152.12 g/mol, XLogP of 1.24, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(trifluoromethyl)-3,4-dihydropyrazole is sourced from PubChem (CID 12982051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).