3-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-1,2-oxazole

C9H8F3N3O — CID 141427955

IUPAC3-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-1,2-oxazole
SMILESFC(F)(F)CCn1nccc1-c1ccon1
InChIInChI=1S/C9H8F3N3O/c10-9(11,12)3-5-15-8(1-4-13-15)7-2-6-16-14-7/h1-2,4,6H,3,5H2
InChIKeyDMSKERHDPSDWND-UHFFFAOYSA-N
MW231.18 g/mol
LogP2.49
Rot. Bonds3

About 3-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-1,2-oxazole

3-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-1,2-oxazole (PubChem CID 141427955) has the molecular formula C9H8F3N3O and a molecular weight of 231.18 g/mol. Its IUPAC name is 3-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-1,2-oxazole
PubChem CID141427955
Molecular FormulaC9H8F3N3O
Molecular Weight231.18 g/mol
Exact Mass231.06
IUPAC Name3-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-1,2-oxazole
SMILESFC(F)(F)CCn1nccc1-c1ccon1
InChIInChI=1S/C9H8F3N3O/c10-9(11,12)3-5-15-8(1-4-13-15)7-2-6-16-14-7/h1-2,4,6H,3,5H2
InChIKeyDMSKERHDPSDWND-UHFFFAOYSA-N
XLogP2.49
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.18
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-1,2-oxazole?
The IUPAC name of 3-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-1,2-oxazole (CID 141427955) is 3-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-1,2-oxazole.
What is the SMILES notation for 3-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-1,2-oxazole?
The canonical SMILES for 3-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-1,2-oxazole is FC(F)(F)CCn1nccc1-c1ccon1.
What is the InChIKey of 3-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-1,2-oxazole?
The InChIKey is DMSKERHDPSDWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N3O/c10-9(11,12)3-5-15-8(1-4-13-15)7-2-6-16-14-7/h1-2,4,6H,3,5H2.
What are the key properties of 3-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-1,2-oxazole?
3-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-1,2-oxazole has a molecular weight of 231.18 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]-1,2-oxazole is sourced from PubChem (CID 141427955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).