5-(2-methoxyphenyl)-3-[4-(trifluoromethoxy)phenyl]-1H-pyrazole

C17H13F3N2O2 — CID 155553937

IUPAC5-(2-methoxyphenyl)-3-[4-(trifluoromethoxy)phenyl]-1H-pyrazole
SMILESCOc1ccccc1-c1cc(-c2ccc(OC(F)(F)F)cc2)n[nH]1
InChIInChI=1S/C17H13F3N2O2/c1-23-16-5-3-2-4-13(16)15-10-14(21-22-15)11-6-8-12(9-7-11)24-17(18,19)20/h2-10H,1H3,(H,21,22)
InChIKeyZJJIZSJTZFIKGI-UHFFFAOYSA-N
MW334.30 g/mol
LogP4.65
Rot. Bonds4

About 5-(2-methoxyphenyl)-3-[4-(trifluoromethoxy)phenyl]-1H-pyrazole

5-(2-methoxyphenyl)-3-[4-(trifluoromethoxy)phenyl]-1H-pyrazole (PubChem CID 155553937) has the molecular formula C17H13F3N2O2 and a molecular weight of 334.30 g/mol. Its IUPAC name is 5-(2-methoxyphenyl)-3-[4-(trifluoromethoxy)phenyl]-1H-pyrazole.

Molecular Properties

Compound Name5-(2-methoxyphenyl)-3-[4-(trifluoromethoxy)phenyl]-1H-pyrazole
PubChem CID155553937
Molecular FormulaC17H13F3N2O2
Molecular Weight334.30 g/mol
Exact Mass334.09
IUPAC Name5-(2-methoxyphenyl)-3-[4-(trifluoromethoxy)phenyl]-1H-pyrazole
SMILESCOc1ccccc1-c1cc(-c2ccc(OC(F)(F)F)cc2)n[nH]1
InChIInChI=1S/C17H13F3N2O2/c1-23-16-5-3-2-4-13(16)15-10-14(21-22-15)11-6-8-12(9-7-11)24-17(18,19)20/h2-10H,1H3,(H,21,22)
InChIKeyZJJIZSJTZFIKGI-UHFFFAOYSA-N
XLogP4.65
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.30
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(2-methoxyphenyl)-3-[4-(trifluoromethoxy)phenyl]-1H-pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2,4-Dihydroxyphenyl)-4-(4-methoxyphenyl)-5-methyl-1H-pyrazole
CID 764764
3-Amino-5-(4-methoxyphenyl)pyrazole
CID 2756469
3,5-bis(4-methoxyphenyl)-1H-pyrazole
CID 658538
5-methoxy-2-[5-(4-methylphenyl)-1H-pyrazol-3-yl]phenol
CID 874817
5-(4-phenoxyphenyl)-1H-pyrazole
CID 2806138
5-methoxy-2-[4-(2-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]phenol
CID 947248
Vrt-532
CID 781239
2-[5-(2-Fluorophenyl)-1H-pyrazol-3-yl]phenol
CID 136226476
3-(2-methoxyphenyl)-1H-pyrazol-5-amine
CID 3240675
2-[5-(1,1,2,2-tetrafluoroethyl)-1H-pyrazol-3-yl]phenol
CID 762936
3-(4-(4-Fluorophenoxy)phenyl)-1H-pyrazole
CID 9816478
[(2R)-2-amino-2-[3-[4-octoxy-3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]propyl] dihydrogen phosphate
CID 59384372

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyphenyl)-3-[4-(trifluoromethoxy)phenyl]-1H-pyrazole?
The IUPAC name of 5-(2-methoxyphenyl)-3-[4-(trifluoromethoxy)phenyl]-1H-pyrazole (CID 155553937) is 5-(2-methoxyphenyl)-3-[4-(trifluoromethoxy)phenyl]-1H-pyrazole.
What is the SMILES notation for 5-(2-methoxyphenyl)-3-[4-(trifluoromethoxy)phenyl]-1H-pyrazole?
The canonical SMILES for 5-(2-methoxyphenyl)-3-[4-(trifluoromethoxy)phenyl]-1H-pyrazole is COc1ccccc1-c1cc(-c2ccc(OC(F)(F)F)cc2)n[nH]1.
What is the InChIKey of 5-(2-methoxyphenyl)-3-[4-(trifluoromethoxy)phenyl]-1H-pyrazole?
The InChIKey is ZJJIZSJTZFIKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O2/c1-23-16-5-3-2-4-13(16)15-10-14(21-22-15)11-6-8-12(9-7-11)24-17(18,19)20/h2-10H,1H3,(H,21,22).
What are the key properties of 5-(2-methoxyphenyl)-3-[4-(trifluoromethoxy)phenyl]-1H-pyrazole?
5-(2-methoxyphenyl)-3-[4-(trifluoromethoxy)phenyl]-1H-pyrazole has a molecular weight of 334.30 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyphenyl)-3-[4-(trifluoromethoxy)phenyl]-1H-pyrazole is sourced from PubChem (CID 155553937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).