5-[1-(difluoromethyl)pyrazol-4-yl]-2-methyl-1,3-oxazolidine

C8H11F2N3O — CID 166121207

IUPAC5-[1-(difluoromethyl)pyrazol-4-yl]-2-methyl-1,3-oxazolidine
SMILESCC1NCC(c2cnn(C(F)F)c2)O1
InChIInChI=1S/C8H11F2N3O/c1-5-11-3-7(14-5)6-2-12-13(4-6)8(9)10/h2,4-5,7-8,11H,3H2,1H3
InChIKeyUSSSNTBEMBIUNU-UHFFFAOYSA-N
MW203.19 g/mol
LogP1.29
Rot. Bonds2

About 5-[1-(difluoromethyl)pyrazol-4-yl]-2-methyl-1,3-oxazolidine

5-[1-(difluoromethyl)pyrazol-4-yl]-2-methyl-1,3-oxazolidine (PubChem CID 166121207) has the molecular formula C8H11F2N3O and a molecular weight of 203.19 g/mol. Its IUPAC name is 5-[1-(difluoromethyl)pyrazol-4-yl]-2-methyl-1,3-oxazolidine.

Molecular Properties

Compound Name5-[1-(difluoromethyl)pyrazol-4-yl]-2-methyl-1,3-oxazolidine
PubChem CID166121207
Molecular FormulaC8H11F2N3O
Molecular Weight203.19 g/mol
Exact Mass203.09
IUPAC Name5-[1-(difluoromethyl)pyrazol-4-yl]-2-methyl-1,3-oxazolidine
SMILESCC1NCC(c2cnn(C(F)F)c2)O1
InChIInChI=1S/C8H11F2N3O/c1-5-11-3-7(14-5)6-2-12-13(4-6)8(9)10/h2,4-5,7-8,11H,3H2,1H3
InChIKeyUSSSNTBEMBIUNU-UHFFFAOYSA-N
XLogP1.29
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(difluoromethyl)pyrazol-4-yl]-2-methyl-1,3-oxazolidine?
The IUPAC name of 5-[1-(difluoromethyl)pyrazol-4-yl]-2-methyl-1,3-oxazolidine (CID 166121207) is 5-[1-(difluoromethyl)pyrazol-4-yl]-2-methyl-1,3-oxazolidine.
What is the SMILES notation for 5-[1-(difluoromethyl)pyrazol-4-yl]-2-methyl-1,3-oxazolidine?
The canonical SMILES for 5-[1-(difluoromethyl)pyrazol-4-yl]-2-methyl-1,3-oxazolidine is CC1NCC(c2cnn(C(F)F)c2)O1.
What is the InChIKey of 5-[1-(difluoromethyl)pyrazol-4-yl]-2-methyl-1,3-oxazolidine?
The InChIKey is USSSNTBEMBIUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3O/c1-5-11-3-7(14-5)6-2-12-13(4-6)8(9)10/h2,4-5,7-8,11H,3H2,1H3.
What are the key properties of 5-[1-(difluoromethyl)pyrazol-4-yl]-2-methyl-1,3-oxazolidine?
5-[1-(difluoromethyl)pyrazol-4-yl]-2-methyl-1,3-oxazolidine has a molecular weight of 203.19 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(difluoromethyl)pyrazol-4-yl]-2-methyl-1,3-oxazolidine is sourced from PubChem (CID 166121207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).