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

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Related Compounds

1-(4-chlorophenyl)-5-phenyl-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid
CID 3821841
ethyl 5-phenyl-2-[4-(trifluoromethyl)phenyl]triazole-4-carboxylate
CID 59645334
ethyl 5-butan-2-yl-1,3-diphenylpyrazole-4-carboxylate
CID 102030318
ethyl 1,5-diphenyl-3-[(E)-prop-1-enyl]pyrazole-4-carboxylate
CID 12525631
(4-methylphenyl)-(1,3,5-triphenylpyrazol-4-yl)methanone
CID 15197844
1,3-bis(4-methylphenyl)-5-phenylpyrazole-4-carboxylic acid
CID 3816890
1-(4-methylphenyl)-5-phenyl-3-pyridin-4-ylpyrazole-4-carboxylic acid
CID 3831748
benzyl 1-(3,4-dimethylphenyl)-5-propan-2-yl-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylate
CID 11752231
1-(4-fluorophenyl)-5-methyl-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid
CID 3672642
ethyl 2-methoxy-6-[4-(trifluoromethyl)phenyl]benzoate
CID 134627131
ethyl 5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxylate
CID 46743357
1-(4-chlorophenyl)-3-(4-methylphenyl)-5-phenylpyrazole-4-carboxylic acid
CID 4988708

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).