1-(4-methoxyphenyl)-5-(2-phenylethenyl)-3-(trifluoromethyl)pyrazole

C19H15F3N2O — CID 67196817

IUPAC1-(4-methoxyphenyl)-5-(2-phenylethenyl)-3-(trifluoromethyl)pyrazole
SMILESCOc1ccc(-n2nc(C(F)(F)F)cc2C=Cc2ccccc2)cc1
InChIInChI=1S/C19H15F3N2O/c1-25-17-11-9-15(10-12-17)24-16(13-18(23-24)19(20,21)22)8-7-14-5-3-2-4-6-14/h2-13H,1H3
InChIKeyJONPSFRLKSOQJY-UHFFFAOYSA-N
MW344.34 g/mol
LogP5.07
Rot. Bonds4

About 1-(4-methoxyphenyl)-5-(2-phenylethenyl)-3-(trifluoromethyl)pyrazole

1-(4-methoxyphenyl)-5-(2-phenylethenyl)-3-(trifluoromethyl)pyrazole (PubChem CID 67196817) has the molecular formula C19H15F3N2O and a molecular weight of 344.34 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-5-(2-phenylethenyl)-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-5-(2-phenylethenyl)-3-(trifluoromethyl)pyrazole
PubChem CID67196817
Molecular FormulaC19H15F3N2O
Molecular Weight344.34 g/mol
Exact Mass344.11
IUPAC Name1-(4-methoxyphenyl)-5-(2-phenylethenyl)-3-(trifluoromethyl)pyrazole
SMILESCOc1ccc(-n2nc(C(F)(F)F)cc2C=Cc2ccccc2)cc1
InChIInChI=1S/C19H15F3N2O/c1-25-17-11-9-15(10-12-17)24-16(13-18(23-24)19(20,21)22)8-7-14-5-3-2-4-6-14/h2-13H,1H3
InChIKeyJONPSFRLKSOQJY-UHFFFAOYSA-N
XLogP5.07
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.34
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-5-(2-phenylethenyl)-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1-(4-methoxyphenyl)-5-(2-phenylethenyl)-3-(trifluoromethyl)pyrazole (CID 67196817) is 1-(4-methoxyphenyl)-5-(2-phenylethenyl)-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-(4-methoxyphenyl)-5-(2-phenylethenyl)-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-(4-methoxyphenyl)-5-(2-phenylethenyl)-3-(trifluoromethyl)pyrazole is COc1ccc(-n2nc(C(F)(F)F)cc2C=Cc2ccccc2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-5-(2-phenylethenyl)-3-(trifluoromethyl)pyrazole?
The InChIKey is JONPSFRLKSOQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O/c1-25-17-11-9-15(10-12-17)24-16(13-18(23-24)19(20,21)22)8-7-14-5-3-2-4-6-14/h2-13H,1H3.
What are the key properties of 1-(4-methoxyphenyl)-5-(2-phenylethenyl)-3-(trifluoromethyl)pyrazole?
1-(4-methoxyphenyl)-5-(2-phenylethenyl)-3-(trifluoromethyl)pyrazole has a molecular weight of 344.34 g/mol, XLogP of 5.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-5-(2-phenylethenyl)-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 67196817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).