2-ethyl-3-methyl-5-(trifluoromethyl)-3,4-dihydropyrazole

C7H11F3N2 — CID 141146250

IUPAC2-ethyl-3-methyl-5-(trifluoromethyl)-3,4-dihydropyrazole
SMILESCCN1N=C(C(F)(F)F)CC1C
InChIInChI=1S/C7H11F3N2/c1-3-12-5(2)4-6(11-12)7(8,9)10/h5H,3-4H2,1-2H3
InChIKeyDCWWCLFVGYIOHD-UHFFFAOYSA-N
MW180.17 g/mol
LogP2.02
Rot. Bonds1

About 2-ethyl-3-methyl-5-(trifluoromethyl)-3,4-dihydropyrazole

2-ethyl-3-methyl-5-(trifluoromethyl)-3,4-dihydropyrazole (PubChem CID 141146250) has the molecular formula C7H11F3N2 and a molecular weight of 180.17 g/mol. Its IUPAC name is 2-ethyl-3-methyl-5-(trifluoromethyl)-3,4-dihydropyrazole.

Molecular Properties

Compound Name2-ethyl-3-methyl-5-(trifluoromethyl)-3,4-dihydropyrazole
PubChem CID141146250
Molecular FormulaC7H11F3N2
Molecular Weight180.17 g/mol
Exact Mass180.09
IUPAC Name2-ethyl-3-methyl-5-(trifluoromethyl)-3,4-dihydropyrazole
SMILESCCN1N=C(C(F)(F)F)CC1C
InChIInChI=1S/C7H11F3N2/c1-3-12-5(2)4-6(11-12)7(8,9)10/h5H,3-4H2,1-2H3
InChIKeyDCWWCLFVGYIOHD-UHFFFAOYSA-N
XLogP2.02
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-methyl-5-(trifluoromethyl)-3,4-dihydropyrazole?
The IUPAC name of 2-ethyl-3-methyl-5-(trifluoromethyl)-3,4-dihydropyrazole (CID 141146250) is 2-ethyl-3-methyl-5-(trifluoromethyl)-3,4-dihydropyrazole.
What is the SMILES notation for 2-ethyl-3-methyl-5-(trifluoromethyl)-3,4-dihydropyrazole?
The canonical SMILES for 2-ethyl-3-methyl-5-(trifluoromethyl)-3,4-dihydropyrazole is CCN1N=C(C(F)(F)F)CC1C.
What is the InChIKey of 2-ethyl-3-methyl-5-(trifluoromethyl)-3,4-dihydropyrazole?
The InChIKey is DCWWCLFVGYIOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2/c1-3-12-5(2)4-6(11-12)7(8,9)10/h5H,3-4H2,1-2H3.
What are the key properties of 2-ethyl-3-methyl-5-(trifluoromethyl)-3,4-dihydropyrazole?
2-ethyl-3-methyl-5-(trifluoromethyl)-3,4-dihydropyrazole has a molecular weight of 180.17 g/mol, XLogP of 2.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-methyl-5-(trifluoromethyl)-3,4-dihydropyrazole is sourced from PubChem (CID 141146250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).