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

C18H15F3N2O — CID 132527195

IUPAC5-(4-methoxyphenyl)-1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazole
SMILESCOc1ccc(-c2cc(-c3ccc(C(F)(F)F)cc3)nn2C)cc1
InChIInChI=1S/C18H15F3N2O/c1-23-17(13-5-9-15(24-2)10-6-13)11-16(22-23)12-3-7-14(8-4-12)18(19,20)21/h3-11H,1-2H3
InChIKeyVXKLYLDCLNLIGG-UHFFFAOYSA-N
MW332.33 g/mol
LogP4.78
Rot. Bonds3

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

5-(4-methoxyphenyl)-1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazole (PubChem CID 132527195) has the molecular formula C18H15F3N2O and a molecular weight of 332.33 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazole.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazole
PubChem CID132527195
Molecular FormulaC18H15F3N2O
Molecular Weight332.33 g/mol
Exact Mass332.11
IUPAC Name5-(4-methoxyphenyl)-1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazole
SMILESCOc1ccc(-c2cc(-c3ccc(C(F)(F)F)cc3)nn2C)cc1
InChIInChI=1S/C18H15F3N2O/c1-23-17(13-5-9-15(24-2)10-6-13)11-16(22-23)12-3-7-14(8-4-12)18(19,20)21/h3-11H,1-2H3
InChIKeyVXKLYLDCLNLIGG-UHFFFAOYSA-N
XLogP4.78
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 ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde oxime
CID 6894322
1-(4-Chloro-phenyl)-5-(4-methoxy-phenyl)-3-trifluoromethyl-1H-pyrazole
CID 10360688
1,5-Bis(4-methoxyphenyl)-3-(trifluoromethyl)-1H-pyrazole
CID 10569712
3-[4-(4-Fluoro-phenoxy)-phenyl]-1-methyl-1H-pyrazole
CID 11242617
2-Isopropyl-3-(4-trifluoromethoxy-phenyl)-2,4,5,6,7,8-hexahydro-1,2,6-triaza-azulene
CID 59752538
4-(5-(2,5-dimethylphenyl)-1-methyl-1H-pyrazol-3-yl)phenol
CID 135546507
5-(4-Methoxyphenyl)-1,3-diphenyl-1H-pyrazole
CID 14532339
3-(4-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carbonitrile
CID 880209
5-(4-Butoxy-phenyl)-1-methyl-1H-pyrazole
CID 11195591
4-(4-Methoxy-phenyl)-7-trifluoromethyl-1,2-dihydro-3,9,9a-triaza-fluorene 9-oxide
CID 24979617
4-(4-Methoxy-phenyl)-1,2-dihydro-3,9,9a-triaza-fluorene
CID 25161741
4-[2-(4-Methoxy-phenyl)-5-trifluoromethyl-2H-pyrazol-3-yl]-phenylamine
CID 44291754

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazole?
The IUPAC name of 5-(4-methoxyphenyl)-1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazole (CID 132527195) is 5-(4-methoxyphenyl)-1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazole.
What is the SMILES notation for 5-(4-methoxyphenyl)-1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazole?
The canonical SMILES for 5-(4-methoxyphenyl)-1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazole is COc1ccc(-c2cc(-c3ccc(C(F)(F)F)cc3)nn2C)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazole?
The InChIKey is VXKLYLDCLNLIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O/c1-23-17(13-5-9-15(24-2)10-6-13)11-16(22-23)12-3-7-14(8-4-12)18(19,20)21/h3-11H,1-2H3.
What are the key properties of 5-(4-methoxyphenyl)-1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazole?
5-(4-methoxyphenyl)-1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazole has a molecular weight of 332.33 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazole is sourced from PubChem (CID 132527195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).