5-[1-(trifluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazole-2-carbaldehyde

C7H3F3N4O2 — CID 169165177

IUPAC5-[1-(trifluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazole-2-carbaldehyde
SMILESO=Cc1nnc(-c2cnn(C(F)(F)F)c2)o1
InChIInChI=1S/C7H3F3N4O2/c8-7(9,10)14-2-4(1-11-14)6-13-12-5(3-15)16-6/h1-3H
InChIKeyQIDJJZQWOTYSRZ-UHFFFAOYSA-N
MW232.12 g/mol
LogP1.22
Rot. Bonds2

About 5-[1-(trifluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazole-2-carbaldehyde

5-[1-(trifluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazole-2-carbaldehyde (PubChem CID 169165177) has the molecular formula C7H3F3N4O2 and a molecular weight of 232.12 g/mol. Its IUPAC name is 5-[1-(trifluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazole-2-carbaldehyde.

Molecular Properties

Compound Name5-[1-(trifluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazole-2-carbaldehyde
PubChem CID169165177
Molecular FormulaC7H3F3N4O2
Molecular Weight232.12 g/mol
Exact Mass232.02
IUPAC Name5-[1-(trifluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazole-2-carbaldehyde
SMILESO=Cc1nnc(-c2cnn(C(F)(F)F)c2)o1
InChIInChI=1S/C7H3F3N4O2/c8-7(9,10)14-2-4(1-11-14)6-13-12-5(3-15)16-6/h1-3H
InChIKeyQIDJJZQWOTYSRZ-UHFFFAOYSA-N
XLogP1.22
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.12
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(trifluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazole-2-carbaldehyde?
The IUPAC name of 5-[1-(trifluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazole-2-carbaldehyde (CID 169165177) is 5-[1-(trifluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazole-2-carbaldehyde.
What is the SMILES notation for 5-[1-(trifluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazole-2-carbaldehyde?
The canonical SMILES for 5-[1-(trifluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazole-2-carbaldehyde is O=Cc1nnc(-c2cnn(C(F)(F)F)c2)o1.
What is the InChIKey of 5-[1-(trifluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazole-2-carbaldehyde?
The InChIKey is QIDJJZQWOTYSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F3N4O2/c8-7(9,10)14-2-4(1-11-14)6-13-12-5(3-15)16-6/h1-3H.
What are the key properties of 5-[1-(trifluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazole-2-carbaldehyde?
5-[1-(trifluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazole-2-carbaldehyde has a molecular weight of 232.12 g/mol, XLogP of 1.22, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(trifluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazole-2-carbaldehyde is sourced from PubChem (CID 169165177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).