ethane;1-methyl-3-(trifluoromethyl)pyrazole;propane

C10H19F3N2 — CID 143114000

IUPACethane;1-methyl-3-(trifluoromethyl)pyrazole;propane
SMILESCC.CCC.Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C5H5F3N2.C3H8.C2H6/c1-10-3-2-4(9-10)5(6,7)8;1-3-2;1-2/h2-3H,1H3;3H2,1-2H3;1-2H3
InChIKeySCJKGRUIDIQJFC-UHFFFAOYSA-N
MW224.27 g/mol
LogP3.88
Rot. Bonds

About ethane;1-methyl-3-(trifluoromethyl)pyrazole;propane

ethane;1-methyl-3-(trifluoromethyl)pyrazole;propane (PubChem CID 143114000) has the molecular formula C10H19F3N2 and a molecular weight of 224.27 g/mol. Its IUPAC name is ethane;1-methyl-3-(trifluoromethyl)pyrazole;propane.

Molecular Properties

Compound Nameethane;1-methyl-3-(trifluoromethyl)pyrazole;propane
PubChem CID143114000
Molecular FormulaC10H19F3N2
Molecular Weight224.27 g/mol
Exact Mass224.15
IUPAC Nameethane;1-methyl-3-(trifluoromethyl)pyrazole;propane
SMILESCC.CCC.Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C5H5F3N2.C3H8.C2H6/c1-10-3-2-4(9-10)5(6,7)8;1-3-2;1-2/h2-3H,1H3;3H2,1-2H3;1-2H3
InChIKeySCJKGRUIDIQJFC-UHFFFAOYSA-N
XLogP3.88
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-3-(trifluoromethyl)pyrazole;propane?
The IUPAC name of ethane;1-methyl-3-(trifluoromethyl)pyrazole;propane (CID 143114000) is ethane;1-methyl-3-(trifluoromethyl)pyrazole;propane.
What is the SMILES notation for ethane;1-methyl-3-(trifluoromethyl)pyrazole;propane?
The canonical SMILES for ethane;1-methyl-3-(trifluoromethyl)pyrazole;propane is CC.CCC.Cn1ccc(C(F)(F)F)n1.
What is the InChIKey of ethane;1-methyl-3-(trifluoromethyl)pyrazole;propane?
The InChIKey is SCJKGRUIDIQJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N2.C3H8.C2H6/c1-10-3-2-4(9-10)5(6,7)8;1-3-2;1-2/h2-3H,1H3;3H2,1-2H3;1-2H3.
What are the key properties of ethane;1-methyl-3-(trifluoromethyl)pyrazole;propane?
ethane;1-methyl-3-(trifluoromethyl)pyrazole;propane has a molecular weight of 224.27 g/mol, XLogP of 3.88, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-3-(trifluoromethyl)pyrazole;propane is sourced from PubChem (CID 143114000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).