2-[3-(5-cyclopropylpyrazol-1-yl)phenyl]-5-(difluoromethyl)-1,3,4-oxadiazole

C15H12F2N4O — CID 162511065

IUPAC2-[3-(5-cyclopropylpyrazol-1-yl)phenyl]-5-(difluoromethyl)-1,3,4-oxadiazole
SMILESFC(F)c1nnc(-c2cccc(-n3nccc3C3CC3)c2)o1
InChIInChI=1S/C15H12F2N4O/c16-13(17)15-20-19-14(22-15)10-2-1-3-11(8-10)21-12(6-7-18-21)9-4-5-9/h1-3,6-9,13H,4-5H2
InChIKeyCXCOSVGGYWFDGK-UHFFFAOYSA-N
MW302.28 g/mol
LogP3.74
Rot. Bonds4

About 2-[3-(5-cyclopropylpyrazol-1-yl)phenyl]-5-(difluoromethyl)-1,3,4-oxadiazole

2-[3-(5-cyclopropylpyrazol-1-yl)phenyl]-5-(difluoromethyl)-1,3,4-oxadiazole (PubChem CID 162511065) has the molecular formula C15H12F2N4O and a molecular weight of 302.28 g/mol. Its IUPAC name is 2-[3-(5-cyclopropylpyrazol-1-yl)phenyl]-5-(difluoromethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[3-(5-cyclopropylpyrazol-1-yl)phenyl]-5-(difluoromethyl)-1,3,4-oxadiazole
PubChem CID162511065
Molecular FormulaC15H12F2N4O
Molecular Weight302.28 g/mol
Exact Mass302.10
IUPAC Name2-[3-(5-cyclopropylpyrazol-1-yl)phenyl]-5-(difluoromethyl)-1,3,4-oxadiazole
SMILESFC(F)c1nnc(-c2cccc(-n3nccc3C3CC3)c2)o1
InChIInChI=1S/C15H12F2N4O/c16-13(17)15-20-19-14(22-15)10-2-1-3-11(8-10)21-12(6-7-18-21)9-4-5-9/h1-3,6-9,13H,4-5H2
InChIKeyCXCOSVGGYWFDGK-UHFFFAOYSA-N
XLogP3.74
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[3-(5-cyclopropylpyrazol-1-yl)phenyl]-5-(difluoromethyl)-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-[3-(5-cyclopropylpyrazol-1-yl)phenyl]-5-(difluoromethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[3-(5-cyclopropylpyrazol-1-yl)phenyl]-5-(difluoromethyl)-1,3,4-oxadiazole (CID 162511065) is 2-[3-(5-cyclopropylpyrazol-1-yl)phenyl]-5-(difluoromethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[3-(5-cyclopropylpyrazol-1-yl)phenyl]-5-(difluoromethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[3-(5-cyclopropylpyrazol-1-yl)phenyl]-5-(difluoromethyl)-1,3,4-oxadiazole is FC(F)c1nnc(-c2cccc(-n3nccc3C3CC3)c2)o1.
What is the InChIKey of 2-[3-(5-cyclopropylpyrazol-1-yl)phenyl]-5-(difluoromethyl)-1,3,4-oxadiazole?
The InChIKey is CXCOSVGGYWFDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N4O/c16-13(17)15-20-19-14(22-15)10-2-1-3-11(8-10)21-12(6-7-18-21)9-4-5-9/h1-3,6-9,13H,4-5H2.
What are the key properties of 2-[3-(5-cyclopropylpyrazol-1-yl)phenyl]-5-(difluoromethyl)-1,3,4-oxadiazole?
2-[3-(5-cyclopropylpyrazol-1-yl)phenyl]-5-(difluoromethyl)-1,3,4-oxadiazole has a molecular weight of 302.28 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-cyclopropylpyrazol-1-yl)phenyl]-5-(difluoromethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 162511065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).