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

C19H15F3N8O2 — CID 150263999

IUPAC5-[1-[(6-azido-3-pyridinyl)methyl]-5-methylpyrazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-2H-1,3,4-oxadiazole
SMILESCc1cc(C2=NN(c3ccc(OC(F)(F)F)cc3)CO2)nn1Cc1ccc(N=[N+]=[N-])nc1
InChIInChI=1S/C19H15F3N8O2/c1-12-8-16(26-29(12)10-13-2-7-17(24-9-13)25-28-23)18-27-30(11-31-18)14-3-5-15(6-4-14)32-19(20,21)22/h2-9H,10-11H2,1H3
InChIKeyGCDNKDJMJTXFBQ-UHFFFAOYSA-N
MW444.38 g/mol
LogP4.63
Rot. Bonds6

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

5-[1-[(6-azido-3-pyridinyl)methyl]-5-methylpyrazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-2H-1,3,4-oxadiazole (PubChem CID 150263999) has the molecular formula C19H15F3N8O2 and a molecular weight of 444.38 g/mol. Its IUPAC name is 5-[1-[(6-azido-3-pyridinyl)methyl]-5-methylpyrazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-2H-1,3,4-oxadiazole.

Molecular Properties

Compound Name5-[1-[(6-azido-3-pyridinyl)methyl]-5-methylpyrazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-2H-1,3,4-oxadiazole
PubChem CID150263999
Molecular FormulaC19H15F3N8O2
Molecular Weight444.38 g/mol
Exact Mass444.13
IUPAC Name5-[1-[(6-azido-3-pyridinyl)methyl]-5-methylpyrazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-2H-1,3,4-oxadiazole
SMILESCc1cc(C2=NN(c3ccc(OC(F)(F)F)cc3)CO2)nn1Cc1ccc(N=[N+]=[N-])nc1
InChIInChI=1S/C19H15F3N8O2/c1-12-8-16(26-29(12)10-13-2-7-17(24-9-13)25-28-23)18-27-30(11-31-18)14-3-5-15(6-4-14)32-19(20,21)22/h2-9H,10-11H2,1H3
InChIKeyGCDNKDJMJTXFBQ-UHFFFAOYSA-N
XLogP4.63
TPSA113.53 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.38
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 5-[1-[(6-azido-3-pyridinyl)methyl]-5-methylpyrazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-2H-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 5-[1-[(6-azido-3-pyridinyl)methyl]-5-methylpyrazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-2H-1,3,4-oxadiazole?
The IUPAC name of 5-[1-[(6-azido-3-pyridinyl)methyl]-5-methylpyrazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-2H-1,3,4-oxadiazole (CID 150263999) is 5-[1-[(6-azido-3-pyridinyl)methyl]-5-methylpyrazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-2H-1,3,4-oxadiazole.
What is the SMILES notation for 5-[1-[(6-azido-3-pyridinyl)methyl]-5-methylpyrazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-2H-1,3,4-oxadiazole?
The canonical SMILES for 5-[1-[(6-azido-3-pyridinyl)methyl]-5-methylpyrazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-2H-1,3,4-oxadiazole is Cc1cc(C2=NN(c3ccc(OC(F)(F)F)cc3)CO2)nn1Cc1ccc(N=[N+]=[N-])nc1.
What is the InChIKey of 5-[1-[(6-azido-3-pyridinyl)methyl]-5-methylpyrazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-2H-1,3,4-oxadiazole?
The InChIKey is GCDNKDJMJTXFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N8O2/c1-12-8-16(26-29(12)10-13-2-7-17(24-9-13)25-28-23)18-27-30(11-31-18)14-3-5-15(6-4-14)32-19(20,21)22/h2-9H,10-11H2,1H3.
What are the key properties of 5-[1-[(6-azido-3-pyridinyl)methyl]-5-methylpyrazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-2H-1,3,4-oxadiazole?
5-[1-[(6-azido-3-pyridinyl)methyl]-5-methylpyrazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-2H-1,3,4-oxadiazole has a molecular weight of 444.38 g/mol, XLogP of 4.63, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(6-azido-3-pyridinyl)methyl]-5-methylpyrazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-2H-1,3,4-oxadiazole is sourced from PubChem (CID 150263999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).