5-phenyl-1-(4-propoxyphenyl)-3-(trifluoromethyl)pyrazole

C19H17F3N2O — CID 90886022

IUPAC5-phenyl-1-(4-propoxyphenyl)-3-(trifluoromethyl)pyrazole
SMILESCCCOc1ccc(-n2nc(C(F)(F)F)cc2-c2ccccc2)cc1
InChIInChI=1S/C19H17F3N2O/c1-2-12-25-16-10-8-15(9-11-16)24-17(14-6-4-3-5-7-14)13-18(23-24)19(20,21)22/h3-11,13H,2,12H2,1H3
InChIKeyRBGBVYDYLPJCAV-UHFFFAOYSA-N
MW346.35 g/mol
LogP5.35
Rot. Bonds5

About 5-phenyl-1-(4-propoxyphenyl)-3-(trifluoromethyl)pyrazole

5-phenyl-1-(4-propoxyphenyl)-3-(trifluoromethyl)pyrazole (PubChem CID 90886022) has the molecular formula C19H17F3N2O and a molecular weight of 346.35 g/mol. Its IUPAC name is 5-phenyl-1-(4-propoxyphenyl)-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name5-phenyl-1-(4-propoxyphenyl)-3-(trifluoromethyl)pyrazole
PubChem CID90886022
Molecular FormulaC19H17F3N2O
Molecular Weight346.35 g/mol
Exact Mass346.13
IUPAC Name5-phenyl-1-(4-propoxyphenyl)-3-(trifluoromethyl)pyrazole
SMILESCCCOc1ccc(-n2nc(C(F)(F)F)cc2-c2ccccc2)cc1
InChIInChI=1S/C19H17F3N2O/c1-2-12-25-16-10-8-15(9-11-16)24-17(14-6-4-3-5-7-14)13-18(23-24)19(20,21)22/h3-11,13H,2,12H2,1H3
InChIKeyRBGBVYDYLPJCAV-UHFFFAOYSA-N
XLogP5.35
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.35
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-Chlorophenyl)-1-(4-methoxyphenyl)-3-trifluoromethylpyrazole
CID 4306515
3-(Difluoromethyl)-1-(4-methoxyphenyl)-5-(4-(methylsulfinyl)phenyl)pyrazole
CID 132932
1-(4-Methoxyphenyl)-3-(trifluoromethyl)-5-(4-sulfamoylphenyl)-1H-pyrazole
CID 10786971
6-(4-ethoxyphenyl)-1,4,5,7-tetramethyl-6H-pyrrolo[3,4-d]pyridazine
CID 715493
2,2,2-Trifluoro-N-hydroxy-N-{3-[1-(4-methoxy-phenyl)-5-p-tolyl-1H-pyrazol-3-yl]-1-methyl-prop-2-ynyl}-acetamide
CID 9868035
3-(1-benzyl-5-phenylpyrazol-3-yl)oxy-N,N-dimethylpropan-1-amine
CID 9905772
6-(4-Ethoxy-phenyl)-1-(4-ethyl-phenyl)-4,5,7-trimethyl-6H-pyrrolo[3,4-d]pyridazine
CID 9977389
1-Cyclopropyl-6-(4-ethoxy-phenyl)-4,5,7-trimethyl-6H-pyrrolo[3,4-d]pyridazine
CID 9996195
6-(4-Ethoxy-phenyl)-1,5,7-trimethyl-4-p-tolyl-6H-pyrrolo[3,4-d]pyridazine
CID 10022126
1,6-Bis-(4-ethoxy-phenyl)-4,5,7-trimethyl-6H-pyrrolo[3,4-d]pyridazine
CID 10046621
6-(4-Ethoxy-phenyl)-1-isobutyl-4,5,7-trimethyl-6H-pyrrolo[3,4-d]pyridazine
CID 10065679
6-(4-Ethoxy-phenyl)-1-(4-fluoro-phenyl)-4,5,7-trimethyl-6H-pyrrolo[3,4-d]pyridazine
CID 10068070

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-1-(4-propoxyphenyl)-3-(trifluoromethyl)pyrazole?
The IUPAC name of 5-phenyl-1-(4-propoxyphenyl)-3-(trifluoromethyl)pyrazole (CID 90886022) is 5-phenyl-1-(4-propoxyphenyl)-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 5-phenyl-1-(4-propoxyphenyl)-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 5-phenyl-1-(4-propoxyphenyl)-3-(trifluoromethyl)pyrazole is CCCOc1ccc(-n2nc(C(F)(F)F)cc2-c2ccccc2)cc1.
What is the InChIKey of 5-phenyl-1-(4-propoxyphenyl)-3-(trifluoromethyl)pyrazole?
The InChIKey is RBGBVYDYLPJCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O/c1-2-12-25-16-10-8-15(9-11-16)24-17(14-6-4-3-5-7-14)13-18(23-24)19(20,21)22/h3-11,13H,2,12H2,1H3.
What are the key properties of 5-phenyl-1-(4-propoxyphenyl)-3-(trifluoromethyl)pyrazole?
5-phenyl-1-(4-propoxyphenyl)-3-(trifluoromethyl)pyrazole has a molecular weight of 346.35 g/mol, XLogP of 5.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-1-(4-propoxyphenyl)-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 90886022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).