ethane;1-ethyl-4,5-dimethyl-3-(trifluoromethyl)pyrazole

C10H17F3N2 — CID 143431708

IUPACethane;1-ethyl-4,5-dimethyl-3-(trifluoromethyl)pyrazole
SMILESCC.CCn1nc(C(F)(F)F)c(C)c1C
InChIInChI=1S/C8H11F3N2.C2H6/c1-4-13-6(3)5(2)7(12-13)8(9,10)11;1-2/h4H2,1-3H3;1-2H3
InChIKeyZYTVQYUMPOGDEJ-UHFFFAOYSA-N
MW222.25 g/mol
LogP3.56
Rot. Bonds1

About ethane;1-ethyl-4,5-dimethyl-3-(trifluoromethyl)pyrazole

ethane;1-ethyl-4,5-dimethyl-3-(trifluoromethyl)pyrazole (PubChem CID 143431708) has the molecular formula C10H17F3N2 and a molecular weight of 222.25 g/mol. Its IUPAC name is ethane;1-ethyl-4,5-dimethyl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Nameethane;1-ethyl-4,5-dimethyl-3-(trifluoromethyl)pyrazole
PubChem CID143431708
Molecular FormulaC10H17F3N2
Molecular Weight222.25 g/mol
Exact Mass222.13
IUPAC Nameethane;1-ethyl-4,5-dimethyl-3-(trifluoromethyl)pyrazole
SMILESCC.CCn1nc(C(F)(F)F)c(C)c1C
InChIInChI=1S/C8H11F3N2.C2H6/c1-4-13-6(3)5(2)7(12-13)8(9,10)11;1-2/h4H2,1-3H3;1-2H3
InChIKeyZYTVQYUMPOGDEJ-UHFFFAOYSA-N
XLogP3.56
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethynyl-1,3,5-trimethyl-1H-pyrazole
CID 12299300
1,3,4,5-Tetramethyl-1H-pyrazole
CID 579642
(1,3,5-trimethyl-1H-pyrazol-4-yl)methylamine
CID 2776430
[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl](methyl)amine
CID 7022224
1,3,5-trimethyl-1H-pyrazole-4-carbaldehyde oxime
CID 9559822
Sbb010340
CID 6492580
2-(trimethyl-1H-pyrazol-4-yl)acetonitrile
CID 13792877
(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methanamine
CID 16394814
4-bromo-3,5-dimethyl-1-(2,2,2-trifluoroethyl)-1H-pyrazole
CID 62128429
2-(3,4,5-Trimethylpyrazol-1-yl)propan-1-amine
CID 6492579
N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 23005746
1,3,5-Trimethyl-4-[(3-methylazetidin-1-yl)methyl]pyrazole
CID 99802468

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-4,5-dimethyl-3-(trifluoromethyl)pyrazole?
The IUPAC name of ethane;1-ethyl-4,5-dimethyl-3-(trifluoromethyl)pyrazole (CID 143431708) is ethane;1-ethyl-4,5-dimethyl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for ethane;1-ethyl-4,5-dimethyl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for ethane;1-ethyl-4,5-dimethyl-3-(trifluoromethyl)pyrazole is CC.CCn1nc(C(F)(F)F)c(C)c1C.
What is the InChIKey of ethane;1-ethyl-4,5-dimethyl-3-(trifluoromethyl)pyrazole?
The InChIKey is ZYTVQYUMPOGDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2.C2H6/c1-4-13-6(3)5(2)7(12-13)8(9,10)11;1-2/h4H2,1-3H3;1-2H3.
What are the key properties of ethane;1-ethyl-4,5-dimethyl-3-(trifluoromethyl)pyrazole?
ethane;1-ethyl-4,5-dimethyl-3-(trifluoromethyl)pyrazole has a molecular weight of 222.25 g/mol, XLogP of 3.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-4,5-dimethyl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 143431708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).