ethyl 1,3-diphenyl-5-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylate

C25H19F3N2O2 — CID 25243551

IUPACethyl 1,3-diphenyl-5-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)nn(-c2ccccc2)c1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C25H19F3N2O2/c1-2-32-24(31)21-22(17-9-5-3-6-10-17)29-30(20-11-7-4-8-12-20)23(21)18-13-15-19(16-14-18)25(26,27)28/h3-16H,2H2,1H3
InChIKeyOFNKJXGRVXTWGE-UHFFFAOYSA-N
MW436.43 g/mol
LogP6.40
Rot. Bonds5

About ethyl 1,3-diphenyl-5-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylate

ethyl 1,3-diphenyl-5-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylate (PubChem CID 25243551) has the molecular formula C25H19F3N2O2 and a molecular weight of 436.43 g/mol. Its IUPAC name is ethyl 1,3-diphenyl-5-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1,3-diphenyl-5-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylate
PubChem CID25243551
Molecular FormulaC25H19F3N2O2
Molecular Weight436.43 g/mol
Exact Mass436.14
IUPAC Nameethyl 1,3-diphenyl-5-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)nn(-c2ccccc2)c1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C25H19F3N2O2/c1-2-32-24(31)21-22(17-9-5-3-6-10-17)29-30(20-11-7-4-8-12-20)23(21)18-13-15-19(16-14-18)25(26,27)28/h3-16H,2H2,1H3
InChIKeyOFNKJXGRVXTWGE-UHFFFAOYSA-N
XLogP6.40
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.43
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 1,3-diphenyl-5-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylate 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 ethyl 1,3-diphenyl-5-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylate?
The IUPAC name of ethyl 1,3-diphenyl-5-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylate (CID 25243551) is ethyl 1,3-diphenyl-5-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1,3-diphenyl-5-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylate?
The canonical SMILES for ethyl 1,3-diphenyl-5-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylate is CCOC(=O)c1c(-c2ccccc2)nn(-c2ccccc2)c1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of ethyl 1,3-diphenyl-5-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylate?
The InChIKey is OFNKJXGRVXTWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F3N2O2/c1-2-32-24(31)21-22(17-9-5-3-6-10-17)29-30(20-11-7-4-8-12-20)23(21)18-13-15-19(16-14-18)25(26,27)28/h3-16H,2H2,1H3.
What are the key properties of ethyl 1,3-diphenyl-5-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylate?
ethyl 1,3-diphenyl-5-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylate has a molecular weight of 436.43 g/mol, XLogP of 6.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,3-diphenyl-5-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylate is sourced from PubChem (CID 25243551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).