5-[5-methyl-1-[(6-methyl-3-pyridinyl)methyl]pyrazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole

C20H16F3N5O2 — CID 46215740

IUPAC5-[5-methyl-1-[(6-methyl-3-pyridinyl)methyl]pyrazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
SMILESCc1ccc(Cn2nc(-c3nc(-c4ccc(OC(F)(F)F)cc4)no3)cc2C)cn1
InChIInChI=1S/C20H16F3N5O2/c1-12-3-4-14(10-24-12)11-28-13(2)9-17(26-28)19-25-18(27-30-19)15-5-7-16(8-6-15)29-20(21,22)23/h3-10H,11H2,1-2H3
InChIKeyUPXZIHXBOALDHP-UHFFFAOYSA-N
MW415.38 g/mol
LogP4.56
Rot. Bonds5

About 5-[5-methyl-1-[(6-methyl-3-pyridinyl)methyl]pyrazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole

5-[5-methyl-1-[(6-methyl-3-pyridinyl)methyl]pyrazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole (PubChem CID 46215740) has the molecular formula C20H16F3N5O2 and a molecular weight of 415.38 g/mol. Its IUPAC name is 5-[5-methyl-1-[(6-methyl-3-pyridinyl)methyl]pyrazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[5-methyl-1-[(6-methyl-3-pyridinyl)methyl]pyrazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
PubChem CID46215740
Molecular FormulaC20H16F3N5O2
Molecular Weight415.38 g/mol
Exact Mass415.13
IUPAC Name5-[5-methyl-1-[(6-methyl-3-pyridinyl)methyl]pyrazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
SMILESCc1ccc(Cn2nc(-c3nc(-c4ccc(OC(F)(F)F)cc4)no3)cc2C)cn1
InChIInChI=1S/C20H16F3N5O2/c1-12-3-4-14(10-24-12)11-28-13(2)9-17(26-28)19-25-18(27-30-19)15-5-7-16(8-6-15)29-20(21,22)23/h3-10H,11H2,1-2H3
InChIKeyUPXZIHXBOALDHP-UHFFFAOYSA-N
XLogP4.56
TPSA78.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.38
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[5-methyl-1-[(6-methyl-3-pyridinyl)methyl]pyrazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-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 5-[5-methyl-1-[(6-methyl-3-pyridinyl)methyl]pyrazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-[5-methyl-1-[(6-methyl-3-pyridinyl)methyl]pyrazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole (CID 46215740) is 5-[5-methyl-1-[(6-methyl-3-pyridinyl)methyl]pyrazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[5-methyl-1-[(6-methyl-3-pyridinyl)methyl]pyrazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[5-methyl-1-[(6-methyl-3-pyridinyl)methyl]pyrazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole is Cc1ccc(Cn2nc(-c3nc(-c4ccc(OC(F)(F)F)cc4)no3)cc2C)cn1.
What is the InChIKey of 5-[5-methyl-1-[(6-methyl-3-pyridinyl)methyl]pyrazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole?
The InChIKey is UPXZIHXBOALDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N5O2/c1-12-3-4-14(10-24-12)11-28-13(2)9-17(26-28)19-25-18(27-30-19)15-5-7-16(8-6-15)29-20(21,22)23/h3-10H,11H2,1-2H3.
What are the key properties of 5-[5-methyl-1-[(6-methyl-3-pyridinyl)methyl]pyrazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole?
5-[5-methyl-1-[(6-methyl-3-pyridinyl)methyl]pyrazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole has a molecular weight of 415.38 g/mol, XLogP of 4.56, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-methyl-1-[(6-methyl-3-pyridinyl)methyl]pyrazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 46215740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).