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

C13H11F2N5O — CID 19552384

IUPAC2-[[3-(difluoromethyl)-5-methylpyrazol-1-yl]methyl]-5-pyridin-2-yl-1,3,4-oxadiazole
SMILESCc1cc(C(F)F)nn1Cc1nnc(-c2ccccn2)o1
InChIInChI=1S/C13H11F2N5O/c1-8-6-10(12(14)15)19-20(8)7-11-17-18-13(21-11)9-4-2-3-5-16-9/h2-6,12H,7H2,1H3
InChIKeyIZQZIQAMEADDOL-UHFFFAOYSA-N
MW291.26 g/mol
LogP2.62
Rot. Bonds4

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

2-[[3-(difluoromethyl)-5-methylpyrazol-1-yl]methyl]-5-pyridin-2-yl-1,3,4-oxadiazole (PubChem CID 19552384) has the molecular formula C13H11F2N5O and a molecular weight of 291.26 g/mol. Its IUPAC name is 2-[[3-(difluoromethyl)-5-methylpyrazol-1-yl]methyl]-5-pyridin-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[3-(difluoromethyl)-5-methylpyrazol-1-yl]methyl]-5-pyridin-2-yl-1,3,4-oxadiazole
PubChem CID19552384
Molecular FormulaC13H11F2N5O
Molecular Weight291.26 g/mol
Exact Mass291.09
IUPAC Name2-[[3-(difluoromethyl)-5-methylpyrazol-1-yl]methyl]-5-pyridin-2-yl-1,3,4-oxadiazole
SMILESCc1cc(C(F)F)nn1Cc1nnc(-c2ccccn2)o1
InChIInChI=1S/C13H11F2N5O/c1-8-6-10(12(14)15)19-20(8)7-11-17-18-13(21-11)9-4-2-3-5-16-9/h2-6,12H,7H2,1H3
InChIKeyIZQZIQAMEADDOL-UHFFFAOYSA-N
XLogP2.62
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.26
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(difluoromethyl)-5-methylpyrazol-1-yl]methyl]-5-pyridin-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[[3-(difluoromethyl)-5-methylpyrazol-1-yl]methyl]-5-pyridin-2-yl-1,3,4-oxadiazole (CID 19552384) is 2-[[3-(difluoromethyl)-5-methylpyrazol-1-yl]methyl]-5-pyridin-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[3-(difluoromethyl)-5-methylpyrazol-1-yl]methyl]-5-pyridin-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[[3-(difluoromethyl)-5-methylpyrazol-1-yl]methyl]-5-pyridin-2-yl-1,3,4-oxadiazole is Cc1cc(C(F)F)nn1Cc1nnc(-c2ccccn2)o1.
What is the InChIKey of 2-[[3-(difluoromethyl)-5-methylpyrazol-1-yl]methyl]-5-pyridin-2-yl-1,3,4-oxadiazole?
The InChIKey is IZQZIQAMEADDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N5O/c1-8-6-10(12(14)15)19-20(8)7-11-17-18-13(21-11)9-4-2-3-5-16-9/h2-6,12H,7H2,1H3.
What are the key properties of 2-[[3-(difluoromethyl)-5-methylpyrazol-1-yl]methyl]-5-pyridin-2-yl-1,3,4-oxadiazole?
2-[[3-(difluoromethyl)-5-methylpyrazol-1-yl]methyl]-5-pyridin-2-yl-1,3,4-oxadiazole has a molecular weight of 291.26 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(difluoromethyl)-5-methylpyrazol-1-yl]methyl]-5-pyridin-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 19552384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).