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

C13H10F3N5O — CID 19540592

IUPAC2-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-pyridin-2-yl-1,3,4-oxadiazole
SMILESCc1cc(C(F)(F)F)nn1Cc1nnc(-c2ccccn2)o1
InChIInChI=1S/C13H10F3N5O/c1-8-6-10(13(14,15)16)20-21(8)7-11-18-19-12(22-11)9-4-2-3-5-17-9/h2-6H,7H2,1H3
InChIKeySKKGSNZHHIVXFK-UHFFFAOYSA-N
MW309.25 g/mol
LogP2.70
Rot. Bonds3

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

2-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-pyridin-2-yl-1,3,4-oxadiazole (PubChem CID 19540592) has the molecular formula C13H10F3N5O and a molecular weight of 309.25 g/mol. Its IUPAC name is 2-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-pyridin-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-pyridin-2-yl-1,3,4-oxadiazole
PubChem CID19540592
Molecular FormulaC13H10F3N5O
Molecular Weight309.25 g/mol
Exact Mass309.08
IUPAC Name2-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-pyridin-2-yl-1,3,4-oxadiazole
SMILESCc1cc(C(F)(F)F)nn1Cc1nnc(-c2ccccn2)o1
InChIInChI=1S/C13H10F3N5O/c1-8-6-10(13(14,15)16)20-21(8)7-11-18-19-12(22-11)9-4-2-3-5-17-9/h2-6H,7H2,1H3
InChIKeySKKGSNZHHIVXFK-UHFFFAOYSA-N
XLogP2.70
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.25
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-pyridin-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-pyridin-2-yl-1,3,4-oxadiazole (CID 19540592) is 2-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-pyridin-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-pyridin-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-pyridin-2-yl-1,3,4-oxadiazole is Cc1cc(C(F)(F)F)nn1Cc1nnc(-c2ccccn2)o1.
What is the InChIKey of 2-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-pyridin-2-yl-1,3,4-oxadiazole?
The InChIKey is SKKGSNZHHIVXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N5O/c1-8-6-10(13(14,15)16)20-21(8)7-11-18-19-12(22-11)9-4-2-3-5-17-9/h2-6H,7H2,1H3.
What are the key properties of 2-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-pyridin-2-yl-1,3,4-oxadiazole?
2-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-pyridin-2-yl-1,3,4-oxadiazole has a molecular weight of 309.25 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-pyridin-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 19540592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).