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

C12H8F3N5O — CID 19542227

IUPAC2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
SMILESCn1nc(C(F)(F)F)cc1-c1nnc(-c2ccncc2)o1
InChIInChI=1S/C12H8F3N5O/c1-20-8(6-9(19-20)12(13,14)15)11-18-17-10(21-11)7-2-4-16-5-3-7/h2-6H,1H3
InChIKeyBUTAVKUKTUJFOX-UHFFFAOYSA-N
MW295.22 g/mol
LogP2.55
Rot. Bonds2

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

2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-pyridin-4-yl-1,3,4-oxadiazole (PubChem CID 19542227) has the molecular formula C12H8F3N5O and a molecular weight of 295.22 g/mol. Its IUPAC name is 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-pyridin-4-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
PubChem CID19542227
Molecular FormulaC12H8F3N5O
Molecular Weight295.22 g/mol
Exact Mass295.07
IUPAC Name2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
SMILESCn1nc(C(F)(F)F)cc1-c1nnc(-c2ccncc2)o1
InChIInChI=1S/C12H8F3N5O/c1-20-8(6-9(19-20)12(13,14)15)11-18-17-10(21-11)7-2-4-16-5-3-7/h2-6H,1H3
InChIKeyBUTAVKUKTUJFOX-UHFFFAOYSA-N
XLogP2.55
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.22
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-pyridin-4-yl-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-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-pyridin-4-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-pyridin-4-yl-1,3,4-oxadiazole (CID 19542227) is 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-pyridin-4-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-pyridin-4-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-pyridin-4-yl-1,3,4-oxadiazole is Cn1nc(C(F)(F)F)cc1-c1nnc(-c2ccncc2)o1.
What is the InChIKey of 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-pyridin-4-yl-1,3,4-oxadiazole?
The InChIKey is BUTAVKUKTUJFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3N5O/c1-20-8(6-9(19-20)12(13,14)15)11-18-17-10(21-11)7-2-4-16-5-3-7/h2-6H,1H3.
What are the key properties of 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-pyridin-4-yl-1,3,4-oxadiazole?
2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-pyridin-4-yl-1,3,4-oxadiazole has a molecular weight of 295.22 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-pyridin-4-yl-1,3,4-oxadiazole is sourced from PubChem (CID 19542227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).