5-(1,1-difluoropropyl)-1-ethyl-3-propan-2-ylpyrazole;ethane

C13H24F2N2 — CID 168880201

IUPAC5-(1,1-difluoropropyl)-1-ethyl-3-propan-2-ylpyrazole;ethane
SMILESCC.CCn1nc(C(C)C)cc1C(F)(F)CC
InChIInChI=1S/C11H18F2N2.C2H6/c1-5-11(12,13)10-7-9(8(3)4)14-15(10)6-2;1-2/h7-8H,5-6H2,1-4H3;1-2H3
InChIKeyOTGJAZUAPGEGOV-UHFFFAOYSA-N
MW246.34 g/mol
LogP4.55
Rot. Bonds4

About 5-(1,1-difluoropropyl)-1-ethyl-3-propan-2-ylpyrazole;ethane

5-(1,1-difluoropropyl)-1-ethyl-3-propan-2-ylpyrazole;ethane (PubChem CID 168880201) has the molecular formula C13H24F2N2 and a molecular weight of 246.34 g/mol. Its IUPAC name is 5-(1,1-difluoropropyl)-1-ethyl-3-propan-2-ylpyrazole;ethane.

Molecular Properties

Compound Name5-(1,1-difluoropropyl)-1-ethyl-3-propan-2-ylpyrazole;ethane
PubChem CID168880201
Molecular FormulaC13H24F2N2
Molecular Weight246.34 g/mol
Exact Mass246.19
IUPAC Name5-(1,1-difluoropropyl)-1-ethyl-3-propan-2-ylpyrazole;ethane
SMILESCC.CCn1nc(C(C)C)cc1C(F)(F)CC
InChIInChI=1S/C11H18F2N2.C2H6/c1-5-11(12,13)10-7-9(8(3)4)14-15(10)6-2;1-2/h7-8H,5-6H2,1-4H3;1-2H3
InChIKeyOTGJAZUAPGEGOV-UHFFFAOYSA-N
XLogP4.55
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(1,1-difluoropropyl)-1-ethyl-3-propan-2-ylpyrazole;ethane?
The IUPAC name of 5-(1,1-difluoropropyl)-1-ethyl-3-propan-2-ylpyrazole;ethane (CID 168880201) is 5-(1,1-difluoropropyl)-1-ethyl-3-propan-2-ylpyrazole;ethane.
What is the SMILES notation for 5-(1,1-difluoropropyl)-1-ethyl-3-propan-2-ylpyrazole;ethane?
The canonical SMILES for 5-(1,1-difluoropropyl)-1-ethyl-3-propan-2-ylpyrazole;ethane is CC.CCn1nc(C(C)C)cc1C(F)(F)CC.
What is the InChIKey of 5-(1,1-difluoropropyl)-1-ethyl-3-propan-2-ylpyrazole;ethane?
The InChIKey is OTGJAZUAPGEGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N2.C2H6/c1-5-11(12,13)10-7-9(8(3)4)14-15(10)6-2;1-2/h7-8H,5-6H2,1-4H3;1-2H3.
What are the key properties of 5-(1,1-difluoropropyl)-1-ethyl-3-propan-2-ylpyrazole;ethane?
5-(1,1-difluoropropyl)-1-ethyl-3-propan-2-ylpyrazole;ethane has a molecular weight of 246.34 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-difluoropropyl)-1-ethyl-3-propan-2-ylpyrazole;ethane is sourced from PubChem (CID 168880201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).