3-(4-methoxyphenyl)-5-phenyl-1-[3-(trifluoromethyl)phenyl]pyrazole

C23H17F3N2O — CID 16751865

IUPAC3-(4-methoxyphenyl)-5-phenyl-1-[3-(trifluoromethyl)phenyl]pyrazole
SMILESCOc1ccc(-c2cc(-c3ccccc3)n(-c3cccc(C(F)(F)F)c3)n2)cc1
InChIInChI=1S/C23H17F3N2O/c1-29-20-12-10-16(11-13-20)21-15-22(17-6-3-2-4-7-17)28(27-21)19-9-5-8-18(14-19)23(24,25)26/h2-15H,1H3
InChIKeyZVJBHEVXJBUNSB-UHFFFAOYSA-N
MW394.40 g/mol
LogP6.23
Rot. Bonds4

About 3-(4-methoxyphenyl)-5-phenyl-1-[3-(trifluoromethyl)phenyl]pyrazole

3-(4-methoxyphenyl)-5-phenyl-1-[3-(trifluoromethyl)phenyl]pyrazole (PubChem CID 16751865) has the molecular formula C23H17F3N2O and a molecular weight of 394.40 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-5-phenyl-1-[3-(trifluoromethyl)phenyl]pyrazole.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-5-phenyl-1-[3-(trifluoromethyl)phenyl]pyrazole
PubChem CID16751865
Molecular FormulaC23H17F3N2O
Molecular Weight394.40 g/mol
Exact Mass394.13
IUPAC Name3-(4-methoxyphenyl)-5-phenyl-1-[3-(trifluoromethyl)phenyl]pyrazole
SMILESCOc1ccc(-c2cc(-c3ccccc3)n(-c3cccc(C(F)(F)F)c3)n2)cc1
InChIInChI=1S/C23H17F3N2O/c1-29-20-12-10-16(11-13-20)21-15-22(17-6-3-2-4-7-17)28(27-21)19-9-5-8-18(14-19)23(24,25)26/h2-15H,1H3
InChIKeyZVJBHEVXJBUNSB-UHFFFAOYSA-N
XLogP6.23
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.40
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-bromophenyl)-5-(4-methoxyphenyl)-1-phenylpyrazole
CID 71713430
[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl] 3-(trifluoromethyl)benzenesulfonate
CID 3419088
3-[4-[2-(4-chlorophenyl)ethynyl]phenyl]-5-(4-methoxyphenyl)-1-phenylpyrazole
CID 91273356
4-(4-methoxyphenyl)-3-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine
CID 100561144
3-(4-methoxyphenyl)-1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-5-carboxamide
CID 42660586
1,3,5-triphenylpyrazole
CID 626614
1-(2-ethylphenyl)-3,5-bis(4-methoxyphenyl)pyrazole
CID 19587123
8-[3-(4-methoxyphenyl)-5-phenylpyrazol-1-yl]quinoline
CID 1205496
3-(4-fluorophenyl)-1,5-diphenylpyrazole
CID 14978147
1-phenyl-5-[3-(trifluoromethyl)phenyl]pyrazol-3-amine
CID 71287829
3-(4-tert-butylphenyl)-5-(4-methylphenyl)-1-phenylpyrazole
CID 102338518
3-(4-fluorophenyl)-5-(4-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazole
CID 51362120

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-5-phenyl-1-[3-(trifluoromethyl)phenyl]pyrazole?
The IUPAC name of 3-(4-methoxyphenyl)-5-phenyl-1-[3-(trifluoromethyl)phenyl]pyrazole (CID 16751865) is 3-(4-methoxyphenyl)-5-phenyl-1-[3-(trifluoromethyl)phenyl]pyrazole.
What is the SMILES notation for 3-(4-methoxyphenyl)-5-phenyl-1-[3-(trifluoromethyl)phenyl]pyrazole?
The canonical SMILES for 3-(4-methoxyphenyl)-5-phenyl-1-[3-(trifluoromethyl)phenyl]pyrazole is COc1ccc(-c2cc(-c3ccccc3)n(-c3cccc(C(F)(F)F)c3)n2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-5-phenyl-1-[3-(trifluoromethyl)phenyl]pyrazole?
The InChIKey is ZVJBHEVXJBUNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N2O/c1-29-20-12-10-16(11-13-20)21-15-22(17-6-3-2-4-7-17)28(27-21)19-9-5-8-18(14-19)23(24,25)26/h2-15H,1H3.
What are the key properties of 3-(4-methoxyphenyl)-5-phenyl-1-[3-(trifluoromethyl)phenyl]pyrazole?
3-(4-methoxyphenyl)-5-phenyl-1-[3-(trifluoromethyl)phenyl]pyrazole has a molecular weight of 394.40 g/mol, XLogP of 6.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-5-phenyl-1-[3-(trifluoromethyl)phenyl]pyrazole is sourced from PubChem (CID 16751865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).