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

C18H15F3N2O — CID 174394516

IUPAC4-(4-methoxyphenyl)-5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole
SMILESCOc1ccc(-c2cnn(-c3ccc(C(F)(F)F)cc3)c2C)cc1
InChIInChI=1S/C18H15F3N2O/c1-12-17(13-3-9-16(24-2)10-4-13)11-22-23(12)15-7-5-14(6-8-15)18(19,20)21/h3-11H,1-2H3
InChIKeyGEBVHLCVZBIALO-UHFFFAOYSA-N
MW332.33 g/mol
LogP4.88
Rot. Bonds3

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

4-(4-methoxyphenyl)-5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole (PubChem CID 174394516) has the molecular formula C18H15F3N2O and a molecular weight of 332.33 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole
PubChem CID174394516
Molecular FormulaC18H15F3N2O
Molecular Weight332.33 g/mol
Exact Mass332.11
IUPAC Name4-(4-methoxyphenyl)-5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole
SMILESCOc1ccc(-c2cnn(-c3ccc(C(F)(F)F)cc3)c2C)cc1
InChIInChI=1S/C18H15F3N2O/c1-12-17(13-3-9-16(24-2)10-4-13)11-22-23(12)15-7-5-14(6-8-15)18(19,20)21/h3-11H,1-2H3
InChIKeyGEBVHLCVZBIALO-UHFFFAOYSA-N
XLogP4.88
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(chloromethyl)-5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole
CID 81254826
2-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]propan-2-ol
CID 82527913
2-(4-methoxyphenyl)-1-methyl-5-[4-(trifluoromethyl)phenyl]imidazole
CID 53243372
2-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethanol
CID 105490895
1-[5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanamine
CID 81247880
2,5-bis(4-methoxyphenyl)-1-methyl-4-[4-(trifluoromethyl)phenyl]imidazole
CID 53244019
2-[5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanamine
CID 82305490
1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carbonitrile
CID 1479393
2-(4-methoxyphenyl)-5-(trifluoromethyl)phenol
CID 146557266
2-fluoro-5-methoxy-3-[4-(trifluoromethyl)phenyl]pyridine
CID 133089527
2-(4-methoxyphenyl)-5-[4-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]phenyl]thiophene
CID 46181810
2-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]furan
CID 132514370

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole?
The IUPAC name of 4-(4-methoxyphenyl)-5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole (CID 174394516) is 4-(4-methoxyphenyl)-5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole.
What is the SMILES notation for 4-(4-methoxyphenyl)-5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole?
The canonical SMILES for 4-(4-methoxyphenyl)-5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole is COc1ccc(-c2cnn(-c3ccc(C(F)(F)F)cc3)c2C)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole?
The InChIKey is GEBVHLCVZBIALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O/c1-12-17(13-3-9-16(24-2)10-4-13)11-22-23(12)15-7-5-14(6-8-15)18(19,20)21/h3-11H,1-2H3.
What are the key properties of 4-(4-methoxyphenyl)-5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole?
4-(4-methoxyphenyl)-5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole has a molecular weight of 332.33 g/mol, XLogP of 4.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazole is sourced from PubChem (CID 174394516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).