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

C9H10F2N4O — CID 169162802

IUPAC2-[1-(difluoromethyl)pyrazol-4-yl]-5-propan-2-yl-1,3,4-oxadiazole
SMILESCC(C)c1nnc(-c2cnn(C(F)F)c2)o1
InChIInChI=1S/C9H10F2N4O/c1-5(2)7-13-14-8(16-7)6-3-12-15(4-6)9(10)11/h3-5,9H,1-2H3
InChIKeyTYUASSVCHMFHQC-UHFFFAOYSA-N
MW228.20 g/mol
LogP2.45
Rot. Bonds3

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

2-[1-(difluoromethyl)pyrazol-4-yl]-5-propan-2-yl-1,3,4-oxadiazole (PubChem CID 169162802) has the molecular formula C9H10F2N4O and a molecular weight of 228.20 g/mol. Its IUPAC name is 2-[1-(difluoromethyl)pyrazol-4-yl]-5-propan-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-(difluoromethyl)pyrazol-4-yl]-5-propan-2-yl-1,3,4-oxadiazole
PubChem CID169162802
Molecular FormulaC9H10F2N4O
Molecular Weight228.20 g/mol
Exact Mass228.08
IUPAC Name2-[1-(difluoromethyl)pyrazol-4-yl]-5-propan-2-yl-1,3,4-oxadiazole
SMILESCC(C)c1nnc(-c2cnn(C(F)F)c2)o1
InChIInChI=1S/C9H10F2N4O/c1-5(2)7-13-14-8(16-7)6-3-12-15(4-6)9(10)11/h3-5,9H,1-2H3
InChIKeyTYUASSVCHMFHQC-UHFFFAOYSA-N
XLogP2.45
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.20
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(difluoromethyl)pyrazol-4-yl]-5-propan-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[1-(difluoromethyl)pyrazol-4-yl]-5-propan-2-yl-1,3,4-oxadiazole (CID 169162802) is 2-[1-(difluoromethyl)pyrazol-4-yl]-5-propan-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-(difluoromethyl)pyrazol-4-yl]-5-propan-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-(difluoromethyl)pyrazol-4-yl]-5-propan-2-yl-1,3,4-oxadiazole is CC(C)c1nnc(-c2cnn(C(F)F)c2)o1.
What is the InChIKey of 2-[1-(difluoromethyl)pyrazol-4-yl]-5-propan-2-yl-1,3,4-oxadiazole?
The InChIKey is TYUASSVCHMFHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N4O/c1-5(2)7-13-14-8(16-7)6-3-12-15(4-6)9(10)11/h3-5,9H,1-2H3.
What are the key properties of 2-[1-(difluoromethyl)pyrazol-4-yl]-5-propan-2-yl-1,3,4-oxadiazole?
2-[1-(difluoromethyl)pyrazol-4-yl]-5-propan-2-yl-1,3,4-oxadiazole has a molecular weight of 228.20 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(difluoromethyl)pyrazol-4-yl]-5-propan-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 169162802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).