7-ethoxy-6-ethyl-3-(1-phenylpyrazol-4-yl)oxy-2-(trifluoromethyl)chromen-4-one

C23H19F3N2O4 — CID 4108729

IUPAC7-ethoxy-6-ethyl-3-(1-phenylpyrazol-4-yl)oxy-2-(trifluoromethyl)chromen-4-one
SMILESCCOc1cc2oc(C(F)(F)F)c(Oc3cnn(-c4ccccc4)c3)c(=O)c2cc1CC
InChIInChI=1S/C23H19F3N2O4/c1-3-14-10-17-19(11-18(14)30-4-2)32-22(23(24,25)26)21(20(17)29)31-16-12-27-28(13-16)15-8-6-5-7-9-15/h5-13H,3-4H2,1-2H3
InChIKeyBPZKDELOIGWIIJ-UHFFFAOYSA-N
MW444.41 g/mol
LogP5.75
Rot. Bonds6

About 7-ethoxy-6-ethyl-3-(1-phenylpyrazol-4-yl)oxy-2-(trifluoromethyl)chromen-4-one

7-ethoxy-6-ethyl-3-(1-phenylpyrazol-4-yl)oxy-2-(trifluoromethyl)chromen-4-one (PubChem CID 4108729) has the molecular formula C23H19F3N2O4 and a molecular weight of 444.41 g/mol. Its IUPAC name is 7-ethoxy-6-ethyl-3-(1-phenylpyrazol-4-yl)oxy-2-(trifluoromethyl)chromen-4-one.

Molecular Properties

Compound Name7-ethoxy-6-ethyl-3-(1-phenylpyrazol-4-yl)oxy-2-(trifluoromethyl)chromen-4-one
PubChem CID4108729
Molecular FormulaC23H19F3N2O4
Molecular Weight444.41 g/mol
Exact Mass444.13
IUPAC Name7-ethoxy-6-ethyl-3-(1-phenylpyrazol-4-yl)oxy-2-(trifluoromethyl)chromen-4-one
SMILESCCOc1cc2oc(C(F)(F)F)c(Oc3cnn(-c4ccccc4)c3)c(=O)c2cc1CC
InChIInChI=1S/C23H19F3N2O4/c1-3-14-10-17-19(11-18(14)30-4-2)32-22(23(24,25)26)21(20(17)29)31-16-12-27-28(13-16)15-8-6-5-7-9-15/h5-13H,3-4H2,1-2H3
InChIKeyBPZKDELOIGWIIJ-UHFFFAOYSA-N
XLogP5.75
TPSA66.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.41
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-ethoxy-6-ethyl-3-(1-phenylpyrazol-4-yl)oxy-2-(trifluoromethyl)chromen-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-ethoxy-6-ethyl-3-(1-phenylpyrazol-4-yl)oxy-2-(trifluoromethyl)chromen-4-one?
The IUPAC name of 7-ethoxy-6-ethyl-3-(1-phenylpyrazol-4-yl)oxy-2-(trifluoromethyl)chromen-4-one (CID 4108729) is 7-ethoxy-6-ethyl-3-(1-phenylpyrazol-4-yl)oxy-2-(trifluoromethyl)chromen-4-one.
What is the SMILES notation for 7-ethoxy-6-ethyl-3-(1-phenylpyrazol-4-yl)oxy-2-(trifluoromethyl)chromen-4-one?
The canonical SMILES for 7-ethoxy-6-ethyl-3-(1-phenylpyrazol-4-yl)oxy-2-(trifluoromethyl)chromen-4-one is CCOc1cc2oc(C(F)(F)F)c(Oc3cnn(-c4ccccc4)c3)c(=O)c2cc1CC.
What is the InChIKey of 7-ethoxy-6-ethyl-3-(1-phenylpyrazol-4-yl)oxy-2-(trifluoromethyl)chromen-4-one?
The InChIKey is BPZKDELOIGWIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N2O4/c1-3-14-10-17-19(11-18(14)30-4-2)32-22(23(24,25)26)21(20(17)29)31-16-12-27-28(13-16)15-8-6-5-7-9-15/h5-13H,3-4H2,1-2H3.
What are the key properties of 7-ethoxy-6-ethyl-3-(1-phenylpyrazol-4-yl)oxy-2-(trifluoromethyl)chromen-4-one?
7-ethoxy-6-ethyl-3-(1-phenylpyrazol-4-yl)oxy-2-(trifluoromethyl)chromen-4-one has a molecular weight of 444.41 g/mol, XLogP of 5.75, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxy-6-ethyl-3-(1-phenylpyrazol-4-yl)oxy-2-(trifluoromethyl)chromen-4-one is sourced from PubChem (CID 4108729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).