5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3,4-oxadiazole-2-carboxylic acid;uranium

C8H5F3N4O3U — CID 169166639

IUPAC5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3,4-oxadiazole-2-carboxylic acid;uranium
SMILESO=C(O)c1nnc(-c2cnn(CC(F)(F)F)c2)o1.[U]
InChIInChI=1S/C8H5F3N4O3.U/c9-8(10,11)3-15-2-4(1-12-15)5-13-14-6(18-5)7(16)17;/h1-2H,3H2,(H,16,17);
InChIKeyYMIHDRVSFFYJNH-UHFFFAOYSA-N
MW500.18 g/mol
LogP1.19
Rot. Bonds3

About 5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3,4-oxadiazole-2-carboxylic acid;uranium

5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3,4-oxadiazole-2-carboxylic acid;uranium (PubChem CID 169166639) has the molecular formula C8H5F3N4O3U and a molecular weight of 500.18 g/mol. Its IUPAC name is 5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3,4-oxadiazole-2-carboxylic acid;uranium.

Molecular Properties

Compound Name5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3,4-oxadiazole-2-carboxylic acid;uranium
PubChem CID169166639
Molecular FormulaC8H5F3N4O3U
Molecular Weight500.18 g/mol
Exact Mass500.08
IUPAC Name5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3,4-oxadiazole-2-carboxylic acid;uranium
SMILESO=C(O)c1nnc(-c2cnn(CC(F)(F)F)c2)o1.[U]
InChIInChI=1S/C8H5F3N4O3.U/c9-8(10,11)3-15-2-4(1-12-15)5-13-14-6(18-5)7(16)17;/h1-2H,3H2,(H,16,17);
InChIKeyYMIHDRVSFFYJNH-UHFFFAOYSA-N
XLogP1.19
TPSA94.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.18
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3,4-oxadiazole-2-carboxylic acid;uranium?
The IUPAC name of 5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3,4-oxadiazole-2-carboxylic acid;uranium (CID 169166639) is 5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3,4-oxadiazole-2-carboxylic acid;uranium.
What is the SMILES notation for 5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3,4-oxadiazole-2-carboxylic acid;uranium?
The canonical SMILES for 5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3,4-oxadiazole-2-carboxylic acid;uranium is O=C(O)c1nnc(-c2cnn(CC(F)(F)F)c2)o1.[U].
What is the InChIKey of 5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3,4-oxadiazole-2-carboxylic acid;uranium?
The InChIKey is YMIHDRVSFFYJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N4O3.U/c9-8(10,11)3-15-2-4(1-12-15)5-13-14-6(18-5)7(16)17;/h1-2H,3H2,(H,16,17);.
What are the key properties of 5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3,4-oxadiazole-2-carboxylic acid;uranium?
5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3,4-oxadiazole-2-carboxylic acid;uranium has a molecular weight of 500.18 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3,4-oxadiazole-2-carboxylic acid;uranium is sourced from PubChem (CID 169166639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).