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

C10H12F2N4O — CID 169167191

IUPAC2-[1-(2,2-difluoroethyl)pyrazol-4-yl]-5-propan-2-yl-1,3,4-oxadiazole
SMILESCC(C)c1nnc(-c2cnn(CC(F)F)c2)o1
InChIInChI=1S/C10H12F2N4O/c1-6(2)9-14-15-10(17-9)7-3-13-16(4-7)5-8(11)12/h3-4,6,8H,5H2,1-2H3
InChIKeyKFCOMOIGCKLDII-UHFFFAOYSA-N
MW242.23 g/mol
LogP2.32
Rot. Bonds4

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

2-[1-(2,2-difluoroethyl)pyrazol-4-yl]-5-propan-2-yl-1,3,4-oxadiazole (PubChem CID 169167191) has the molecular formula C10H12F2N4O and a molecular weight of 242.23 g/mol. Its IUPAC name is 2-[1-(2,2-difluoroethyl)pyrazol-4-yl]-5-propan-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-(2,2-difluoroethyl)pyrazol-4-yl]-5-propan-2-yl-1,3,4-oxadiazole
PubChem CID169167191
Molecular FormulaC10H12F2N4O
Molecular Weight242.23 g/mol
Exact Mass242.10
IUPAC Name2-[1-(2,2-difluoroethyl)pyrazol-4-yl]-5-propan-2-yl-1,3,4-oxadiazole
SMILESCC(C)c1nnc(-c2cnn(CC(F)F)c2)o1
InChIInChI=1S/C10H12F2N4O/c1-6(2)9-14-15-10(17-9)7-3-13-16(4-7)5-8(11)12/h3-4,6,8H,5H2,1-2H3
InChIKeyKFCOMOIGCKLDII-UHFFFAOYSA-N
XLogP2.32
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Lithium 5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3,4-oxadiazole-2-carboxylate
CID 169162776
2-[1-(Difluoromethyl)pyrazol-4-yl]-5-propan-2-yl-1,3,4-oxadiazole
CID 169162802
Ethyl 5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3,4-oxadiazole-2-carboxylate
CID 169163268
5-[1-(Trifluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazole-2-carbaldehyde
CID 169165177
2-Propan-2-yl-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3,4-oxadiazole
CID 169165290
2-Propan-2-yl-5-[1-(trifluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazole
CID 169166310
5-[1-(2,2,2-Trifluoroethyl)pyrazol-4-yl]-1,3,4-oxadiazole-2-carbonyl chloride
CID 169166888
2-Butan-2-yl-5-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1,3,4-oxadiazole
CID 169167034
Lithium;5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3,4-oxadiazole-2-carbaldehyde;hydroxide
CID 169769688
5-[1-(2,2,2-Trifluoroethyl)pyrazol-4-yl]-1,3,4-oxadiazole-2-carbaldehyde
CID 169769689
2-Methylsulfanyl-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3,4-oxadiazole
CID 170144762
2-[1-(2,2-Difluoroethyl)pyrazol-4-yl]-5-methyl-1,3,4-oxadiazole
CID 170144763

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2-difluoroethyl)pyrazol-4-yl]-5-propan-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[1-(2,2-difluoroethyl)pyrazol-4-yl]-5-propan-2-yl-1,3,4-oxadiazole (CID 169167191) is 2-[1-(2,2-difluoroethyl)pyrazol-4-yl]-5-propan-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-(2,2-difluoroethyl)pyrazol-4-yl]-5-propan-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-(2,2-difluoroethyl)pyrazol-4-yl]-5-propan-2-yl-1,3,4-oxadiazole is CC(C)c1nnc(-c2cnn(CC(F)F)c2)o1.
What is the InChIKey of 2-[1-(2,2-difluoroethyl)pyrazol-4-yl]-5-propan-2-yl-1,3,4-oxadiazole?
The InChIKey is KFCOMOIGCKLDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N4O/c1-6(2)9-14-15-10(17-9)7-3-13-16(4-7)5-8(11)12/h3-4,6,8H,5H2,1-2H3.
What are the key properties of 2-[1-(2,2-difluoroethyl)pyrazol-4-yl]-5-propan-2-yl-1,3,4-oxadiazole?
2-[1-(2,2-difluoroethyl)pyrazol-4-yl]-5-propan-2-yl-1,3,4-oxadiazole has a molecular weight of 242.23 g/mol, XLogP of 2.32, 4 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-propan-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 169167191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).