5-[5-methyl-1-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazol-3-yl]-1H-1,2,4-triazole

C19H14F3N5O — CID 11440537

IUPAC5-[5-methyl-1-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazol-3-yl]-1H-1,2,4-triazole
SMILESCc1cc(-c2ncn[nH]2)nn1-c1cccc(-c2ccccc2OC(F)(F)F)c1
InChIInChI=1S/C19H14F3N5O/c1-12-9-16(18-23-11-24-25-18)26-27(12)14-6-4-5-13(10-14)15-7-2-3-8-17(15)28-19(20,21)22/h2-11H,1H3,(H,23,24,25)
InChIKeyKAGVFALZZANFFP-UHFFFAOYSA-N
MW385.35 g/mol
LogP4.53
Rot. Bonds4

About 5-[5-methyl-1-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazol-3-yl]-1H-1,2,4-triazole

5-[5-methyl-1-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazol-3-yl]-1H-1,2,4-triazole (PubChem CID 11440537) has the molecular formula C19H14F3N5O and a molecular weight of 385.35 g/mol. Its IUPAC name is 5-[5-methyl-1-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazol-3-yl]-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-[5-methyl-1-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazol-3-yl]-1H-1,2,4-triazole
PubChem CID11440537
Molecular FormulaC19H14F3N5O
Molecular Weight385.35 g/mol
Exact Mass385.12
IUPAC Name5-[5-methyl-1-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazol-3-yl]-1H-1,2,4-triazole
SMILESCc1cc(-c2ncn[nH]2)nn1-c1cccc(-c2ccccc2OC(F)(F)F)c1
InChIInChI=1S/C19H14F3N5O/c1-12-9-16(18-23-11-24-25-18)26-27(12)14-6-4-5-13(10-14)15-7-2-3-8-17(15)28-19(20,21)22/h2-11H,1H3,(H,23,24,25)
InChIKeyKAGVFALZZANFFP-UHFFFAOYSA-N
XLogP4.53
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.35
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[5-methyl-1-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazol-3-yl]-1H-1,2,4-triazole 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-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazol-3-yl]-1H-1,2,4-triazole?
The IUPAC name of 5-[5-methyl-1-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazol-3-yl]-1H-1,2,4-triazole (CID 11440537) is 5-[5-methyl-1-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazol-3-yl]-1H-1,2,4-triazole.
What is the SMILES notation for 5-[5-methyl-1-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazol-3-yl]-1H-1,2,4-triazole?
The canonical SMILES for 5-[5-methyl-1-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazol-3-yl]-1H-1,2,4-triazole is Cc1cc(-c2ncn[nH]2)nn1-c1cccc(-c2ccccc2OC(F)(F)F)c1.
What is the InChIKey of 5-[5-methyl-1-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazol-3-yl]-1H-1,2,4-triazole?
The InChIKey is KAGVFALZZANFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N5O/c1-12-9-16(18-23-11-24-25-18)26-27(12)14-6-4-5-13(10-14)15-7-2-3-8-17(15)28-19(20,21)22/h2-11H,1H3,(H,23,24,25).
What are the key properties of 5-[5-methyl-1-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazol-3-yl]-1H-1,2,4-triazole?
5-[5-methyl-1-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazol-3-yl]-1H-1,2,4-triazole has a molecular weight of 385.35 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-methyl-1-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazol-3-yl]-1H-1,2,4-triazole is sourced from PubChem (CID 11440537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).