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

C11H7F2N5O — CID 19552590

IUPAC2-[1-(difluoromethyl)pyrazol-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
SMILESFC(F)n1ccc(-c2nnc(-c3ccncc3)o2)n1
InChIInChI=1S/C11H7F2N5O/c12-11(13)18-6-3-8(17-18)10-16-15-9(19-10)7-1-4-14-5-2-7/h1-6,11H
InChIKeySVUWDMRYSKXWKU-UHFFFAOYSA-N
MW263.21 g/mol
LogP2.39
Rot. Bonds3

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

2-[1-(difluoromethyl)pyrazol-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole (PubChem CID 19552590) has the molecular formula C11H7F2N5O and a molecular weight of 263.21 g/mol. Its IUPAC name is 2-[1-(difluoromethyl)pyrazol-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-(difluoromethyl)pyrazol-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
PubChem CID19552590
Molecular FormulaC11H7F2N5O
Molecular Weight263.21 g/mol
Exact Mass263.06
IUPAC Name2-[1-(difluoromethyl)pyrazol-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
SMILESFC(F)n1ccc(-c2nnc(-c3ccncc3)o2)n1
InChIInChI=1S/C11H7F2N5O/c12-11(13)18-6-3-8(17-18)10-16-15-9(19-10)7-1-4-14-5-2-7/h1-6,11H
InChIKeySVUWDMRYSKXWKU-UHFFFAOYSA-N
XLogP2.39
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.21
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(difluoromethyl)pyrazol-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[1-(difluoromethyl)pyrazol-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole (CID 19552590) is 2-[1-(difluoromethyl)pyrazol-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-(difluoromethyl)pyrazol-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-(difluoromethyl)pyrazol-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole is FC(F)n1ccc(-c2nnc(-c3ccncc3)o2)n1.
What is the InChIKey of 2-[1-(difluoromethyl)pyrazol-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole?
The InChIKey is SVUWDMRYSKXWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F2N5O/c12-11(13)18-6-3-8(17-18)10-16-15-9(19-10)7-1-4-14-5-2-7/h1-6,11H.
What are the key properties of 2-[1-(difluoromethyl)pyrazol-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole?
2-[1-(difluoromethyl)pyrazol-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole has a molecular weight of 263.21 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(difluoromethyl)pyrazol-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole is sourced from PubChem (CID 19552590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).