4-chloro-2,5-dimethyl-3-(trifluoromethyl)-1,3-dihydropyrazole

C6H8ClF3N2 — CID 162546563

IUPAC4-chloro-2,5-dimethyl-3-(trifluoromethyl)-1,3-dihydropyrazole
SMILESCC1=C(Cl)C(C(F)(F)F)N(C)N1
InChIInChI=1S/C6H8ClF3N2/c1-3-4(7)5(6(8,9)10)12(2)11-3/h5,11H,1-2H3
InChIKeyJUIHWDISJXOHQL-UHFFFAOYSA-N
MW200.59 g/mol
LogP1.84
Rot. Bonds

About 4-chloro-2,5-dimethyl-3-(trifluoromethyl)-1,3-dihydropyrazole

4-chloro-2,5-dimethyl-3-(trifluoromethyl)-1,3-dihydropyrazole (PubChem CID 162546563) has the molecular formula C6H8ClF3N2 and a molecular weight of 200.59 g/mol. Its IUPAC name is 4-chloro-2,5-dimethyl-3-(trifluoromethyl)-1,3-dihydropyrazole.

Molecular Properties

Compound Name4-chloro-2,5-dimethyl-3-(trifluoromethyl)-1,3-dihydropyrazole
PubChem CID162546563
Molecular FormulaC6H8ClF3N2
Molecular Weight200.59 g/mol
Exact Mass200.03
IUPAC Name4-chloro-2,5-dimethyl-3-(trifluoromethyl)-1,3-dihydropyrazole
SMILESCC1=C(Cl)C(C(F)(F)F)N(C)N1
InChIInChI=1S/C6H8ClF3N2/c1-3-4(7)5(6(8,9)10)12(2)11-3/h5,11H,1-2H3
InChIKeyJUIHWDISJXOHQL-UHFFFAOYSA-N
XLogP1.84
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.59
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,5-dimethyl-3-(trifluoromethyl)-1,3-dihydropyrazole?
The IUPAC name of 4-chloro-2,5-dimethyl-3-(trifluoromethyl)-1,3-dihydropyrazole (CID 162546563) is 4-chloro-2,5-dimethyl-3-(trifluoromethyl)-1,3-dihydropyrazole.
What is the SMILES notation for 4-chloro-2,5-dimethyl-3-(trifluoromethyl)-1,3-dihydropyrazole?
The canonical SMILES for 4-chloro-2,5-dimethyl-3-(trifluoromethyl)-1,3-dihydropyrazole is CC1=C(Cl)C(C(F)(F)F)N(C)N1.
What is the InChIKey of 4-chloro-2,5-dimethyl-3-(trifluoromethyl)-1,3-dihydropyrazole?
The InChIKey is JUIHWDISJXOHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClF3N2/c1-3-4(7)5(6(8,9)10)12(2)11-3/h5,11H,1-2H3.
What are the key properties of 4-chloro-2,5-dimethyl-3-(trifluoromethyl)-1,3-dihydropyrazole?
4-chloro-2,5-dimethyl-3-(trifluoromethyl)-1,3-dihydropyrazole has a molecular weight of 200.59 g/mol, XLogP of 1.84, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,5-dimethyl-3-(trifluoromethyl)-1,3-dihydropyrazole is sourced from PubChem (CID 162546563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).