2-[1-(2,2-difluoroethyl)pyrazol-4-yl]-5-methyl-1,3,4-oxadiazole

C8H8F2N4O — CID 170144763

IUPAC2-[1-(2,2-difluoroethyl)pyrazol-4-yl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(-c2cnn(CC(F)F)c2)o1
InChIInChI=1S/C8H8F2N4O/c1-5-12-13-8(15-5)6-2-11-14(3-6)4-7(9)10/h2-3,7H,4H2,1H3
InChIKeySPGUNZBZCAKXQW-UHFFFAOYSA-N
MW214.18 g/mol
LogP1.51
Rot. Bonds3

About 2-[1-(2,2-difluoroethyl)pyrazol-4-yl]-5-methyl-1,3,4-oxadiazole

2-[1-(2,2-difluoroethyl)pyrazol-4-yl]-5-methyl-1,3,4-oxadiazole (PubChem CID 170144763) has the molecular formula C8H8F2N4O and a molecular weight of 214.18 g/mol. Its IUPAC name is 2-[1-(2,2-difluoroethyl)pyrazol-4-yl]-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-(2,2-difluoroethyl)pyrazol-4-yl]-5-methyl-1,3,4-oxadiazole
PubChem CID170144763
Molecular FormulaC8H8F2N4O
Molecular Weight214.18 g/mol
Exact Mass214.07
IUPAC Name2-[1-(2,2-difluoroethyl)pyrazol-4-yl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(-c2cnn(CC(F)F)c2)o1
InChIInChI=1S/C8H8F2N4O/c1-5-12-13-8(15-5)6-2-11-14(3-6)4-7(9)10/h2-3,7H,4H2,1H3
InChIKeySPGUNZBZCAKXQW-UHFFFAOYSA-N
XLogP1.51
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.18
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[1-(2,2-difluoroethyl)pyrazol-4-yl]-5-methyl-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2-difluoroethyl)pyrazol-4-yl]-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-[1-(2,2-difluoroethyl)pyrazol-4-yl]-5-methyl-1,3,4-oxadiazole (CID 170144763) is 2-[1-(2,2-difluoroethyl)pyrazol-4-yl]-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-(2,2-difluoroethyl)pyrazol-4-yl]-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-(2,2-difluoroethyl)pyrazol-4-yl]-5-methyl-1,3,4-oxadiazole is Cc1nnc(-c2cnn(CC(F)F)c2)o1.
What is the InChIKey of 2-[1-(2,2-difluoroethyl)pyrazol-4-yl]-5-methyl-1,3,4-oxadiazole?
The InChIKey is SPGUNZBZCAKXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N4O/c1-5-12-13-8(15-5)6-2-11-14(3-6)4-7(9)10/h2-3,7H,4H2,1H3.
What are the key properties of 2-[1-(2,2-difluoroethyl)pyrazol-4-yl]-5-methyl-1,3,4-oxadiazole?
2-[1-(2,2-difluoroethyl)pyrazol-4-yl]-5-methyl-1,3,4-oxadiazole has a molecular weight of 214.18 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2-difluoroethyl)pyrazol-4-yl]-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 170144763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).