1,5-bis(4-methoxyphenyl)-3-(trifluoromethyl)pyrazole

C18H15F3N2O2 — CID 10569712

IUPAC1,5-bis(4-methoxyphenyl)-3-(trifluoromethyl)pyrazole
SMILESCOc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C18H15F3N2O2/c1-24-14-7-3-12(4-8-14)16-11-17(18(19,20)21)22-23(16)13-5-9-15(25-2)10-6-13/h3-11H,1-2H3
InChIKeyPQOHMVIGLUQKDX-UHFFFAOYSA-N
MW348.32 g/mol
LogP4.58
Rot. Bonds4

About 1,5-bis(4-methoxyphenyl)-3-(trifluoromethyl)pyrazole

1,5-bis(4-methoxyphenyl)-3-(trifluoromethyl)pyrazole (PubChem CID 10569712) has the molecular formula C18H15F3N2O2 and a molecular weight of 348.32 g/mol. Its IUPAC name is 1,5-bis(4-methoxyphenyl)-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1,5-bis(4-methoxyphenyl)-3-(trifluoromethyl)pyrazole
PubChem CID10569712
Molecular FormulaC18H15F3N2O2
Molecular Weight348.32 g/mol
Exact Mass348.11
IUPAC Name1,5-bis(4-methoxyphenyl)-3-(trifluoromethyl)pyrazole
SMILESCOc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C18H15F3N2O2/c1-24-14-7-3-12(4-8-14)16-11-17(18(19,20)21)22-23(16)13-5-9-15(25-2)10-6-13/h3-11H,1-2H3
InChIKeyPQOHMVIGLUQKDX-UHFFFAOYSA-N
XLogP4.58
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.32
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,5-bis(4-methoxyphenyl)-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1,5-bis(4-methoxyphenyl)-3-(trifluoromethyl)pyrazole (CID 10569712) is 1,5-bis(4-methoxyphenyl)-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1,5-bis(4-methoxyphenyl)-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1,5-bis(4-methoxyphenyl)-3-(trifluoromethyl)pyrazole is COc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 1,5-bis(4-methoxyphenyl)-3-(trifluoromethyl)pyrazole?
The InChIKey is PQOHMVIGLUQKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O2/c1-24-14-7-3-12(4-8-14)16-11-17(18(19,20)21)22-23(16)13-5-9-15(25-2)10-6-13/h3-11H,1-2H3.
What are the key properties of 1,5-bis(4-methoxyphenyl)-3-(trifluoromethyl)pyrazole?
1,5-bis(4-methoxyphenyl)-3-(trifluoromethyl)pyrazole has a molecular weight of 348.32 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(4-methoxyphenyl)-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 10569712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).