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

C18H15F3N2O — CID 4192922

IUPAC4-(4-methoxyphenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole
SMILESCOc1ccc(-c2cnn(Cc3cccc(C(F)(F)F)c3)c2)cc1
InChIInChI=1S/C18H15F3N2O/c1-24-17-7-5-14(6-8-17)15-10-22-23(12-15)11-13-3-2-4-16(9-13)18(19,20)21/h2-10,12H,11H2,1H3
InChIKeyAVBXWUNFRABYBL-UHFFFAOYSA-N
MW332.33 g/mol
LogP4.63
Rot. Bonds4

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

4-(4-methoxyphenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole (PubChem CID 4192922) has the molecular formula C18H15F3N2O and a molecular weight of 332.33 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole
PubChem CID4192922
Molecular FormulaC18H15F3N2O
Molecular Weight332.33 g/mol
Exact Mass332.11
IUPAC Name4-(4-methoxyphenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole
SMILESCOc1ccc(-c2cnn(Cc3cccc(C(F)(F)F)c3)c2)cc1
InChIInChI=1S/C18H15F3N2O/c1-24-17-7-5-14(6-8-17)15-10-22-23(12-15)11-13-3-2-4-16(9-13)18(19,20)21/h2-10,12H,11H2,1H3
InChIKeyAVBXWUNFRABYBL-UHFFFAOYSA-N
XLogP4.63
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole?
The IUPAC name of 4-(4-methoxyphenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole (CID 4192922) is 4-(4-methoxyphenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole.
What is the SMILES notation for 4-(4-methoxyphenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole?
The canonical SMILES for 4-(4-methoxyphenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole is COc1ccc(-c2cnn(Cc3cccc(C(F)(F)F)c3)c2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole?
The InChIKey is AVBXWUNFRABYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O/c1-24-17-7-5-14(6-8-17)15-10-22-23(12-15)11-13-3-2-4-16(9-13)18(19,20)21/h2-10,12H,11H2,1H3.
What are the key properties of 4-(4-methoxyphenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole?
4-(4-methoxyphenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole has a molecular weight of 332.33 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole is sourced from PubChem (CID 4192922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).