7-methoxy-3-(1-phenylpyrazol-4-yl)-2-(trifluoromethyl)chromen-4-one

C20H13F3N2O3 — CID 1315236

IUPAC7-methoxy-3-(1-phenylpyrazol-4-yl)-2-(trifluoromethyl)chromen-4-one
SMILESCOc1ccc2c(=O)c(-c3cnn(-c4ccccc4)c3)c(C(F)(F)F)oc2c1
InChIInChI=1S/C20H13F3N2O3/c1-27-14-7-8-15-16(9-14)28-19(20(21,22)23)17(18(15)26)12-10-24-25(11-12)13-5-3-2-4-6-13/h2-11H,1H3
InChIKeyNIKFSQLFXPULQA-UHFFFAOYSA-N
MW386.33 g/mol
LogP4.67
Rot. Bonds3

About 7-methoxy-3-(1-phenylpyrazol-4-yl)-2-(trifluoromethyl)chromen-4-one

7-methoxy-3-(1-phenylpyrazol-4-yl)-2-(trifluoromethyl)chromen-4-one (PubChem CID 1315236) has the molecular formula C20H13F3N2O3 and a molecular weight of 386.33 g/mol. Its IUPAC name is 7-methoxy-3-(1-phenylpyrazol-4-yl)-2-(trifluoromethyl)chromen-4-one.

Molecular Properties

Compound Name7-methoxy-3-(1-phenylpyrazol-4-yl)-2-(trifluoromethyl)chromen-4-one
PubChem CID1315236
Molecular FormulaC20H13F3N2O3
Molecular Weight386.33 g/mol
Exact Mass386.09
IUPAC Name7-methoxy-3-(1-phenylpyrazol-4-yl)-2-(trifluoromethyl)chromen-4-one
SMILESCOc1ccc2c(=O)c(-c3cnn(-c4ccccc4)c3)c(C(F)(F)F)oc2c1
InChIInChI=1S/C20H13F3N2O3/c1-27-14-7-8-15-16(9-14)28-19(20(21,22)23)17(18(15)26)12-10-24-25(11-12)13-5-3-2-4-6-13/h2-11H,1H3
InChIKeyNIKFSQLFXPULQA-UHFFFAOYSA-N
XLogP4.67
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.33
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-(1-phenylpyrazol-4-yl)-2-(trifluoromethyl)chromen-4-one?
The IUPAC name of 7-methoxy-3-(1-phenylpyrazol-4-yl)-2-(trifluoromethyl)chromen-4-one (CID 1315236) is 7-methoxy-3-(1-phenylpyrazol-4-yl)-2-(trifluoromethyl)chromen-4-one.
What is the SMILES notation for 7-methoxy-3-(1-phenylpyrazol-4-yl)-2-(trifluoromethyl)chromen-4-one?
The canonical SMILES for 7-methoxy-3-(1-phenylpyrazol-4-yl)-2-(trifluoromethyl)chromen-4-one is COc1ccc2c(=O)c(-c3cnn(-c4ccccc4)c3)c(C(F)(F)F)oc2c1.
What is the InChIKey of 7-methoxy-3-(1-phenylpyrazol-4-yl)-2-(trifluoromethyl)chromen-4-one?
The InChIKey is NIKFSQLFXPULQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N2O3/c1-27-14-7-8-15-16(9-14)28-19(20(21,22)23)17(18(15)26)12-10-24-25(11-12)13-5-3-2-4-6-13/h2-11H,1H3.
What are the key properties of 7-methoxy-3-(1-phenylpyrazol-4-yl)-2-(trifluoromethyl)chromen-4-one?
7-methoxy-3-(1-phenylpyrazol-4-yl)-2-(trifluoromethyl)chromen-4-one has a molecular weight of 386.33 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-(1-phenylpyrazol-4-yl)-2-(trifluoromethyl)chromen-4-one is sourced from PubChem (CID 1315236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).