7-hydroxy-5-methyl-3-(1-phenylpyrazol-4-yl)-2-(trifluoromethyl)chromen-4-one

C20H13F3N2O3 — CID 5449380

IUPAC7-hydroxy-5-methyl-3-(1-phenylpyrazol-4-yl)-2-(trifluoromethyl)chromen-4-one
SMILESCc1cc(O)cc2oc(C(F)(F)F)c(-c3cnn(-c4ccccc4)c3)c(=O)c12
InChIInChI=1S/C20H13F3N2O3/c1-11-7-14(26)8-15-16(11)18(27)17(19(28-15)20(21,22)23)12-9-24-25(10-12)13-5-3-2-4-6-13/h2-10,26H,1H3
InChIKeyAICWQXZGHCIEFC-UHFFFAOYSA-N
MW386.33 g/mol
LogP4.68
Rot. Bonds2

About 7-hydroxy-5-methyl-3-(1-phenylpyrazol-4-yl)-2-(trifluoromethyl)chromen-4-one

7-hydroxy-5-methyl-3-(1-phenylpyrazol-4-yl)-2-(trifluoromethyl)chromen-4-one (PubChem CID 5449380) has the molecular formula C20H13F3N2O3 and a molecular weight of 386.33 g/mol. Its IUPAC name is 7-hydroxy-5-methyl-3-(1-phenylpyrazol-4-yl)-2-(trifluoromethyl)chromen-4-one.

Molecular Properties

Compound Name7-hydroxy-5-methyl-3-(1-phenylpyrazol-4-yl)-2-(trifluoromethyl)chromen-4-one
PubChem CID5449380
Molecular FormulaC20H13F3N2O3
Molecular Weight386.33 g/mol
Exact Mass386.09
IUPAC Name7-hydroxy-5-methyl-3-(1-phenylpyrazol-4-yl)-2-(trifluoromethyl)chromen-4-one
SMILESCc1cc(O)cc2oc(C(F)(F)F)c(-c3cnn(-c4ccccc4)c3)c(=O)c12
InChIInChI=1S/C20H13F3N2O3/c1-11-7-14(26)8-15-16(11)18(27)17(19(28-15)20(21,22)23)12-9-24-25(10-12)13-5-3-2-4-6-13/h2-10,26H,1H3
InChIKeyAICWQXZGHCIEFC-UHFFFAOYSA-N
XLogP4.68
TPSA68.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.33
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-5-methyl-3-(1-phenylpyrazol-4-yl)-2-(trifluoromethyl)chromen-4-one?
The IUPAC name of 7-hydroxy-5-methyl-3-(1-phenylpyrazol-4-yl)-2-(trifluoromethyl)chromen-4-one (CID 5449380) is 7-hydroxy-5-methyl-3-(1-phenylpyrazol-4-yl)-2-(trifluoromethyl)chromen-4-one.
What is the SMILES notation for 7-hydroxy-5-methyl-3-(1-phenylpyrazol-4-yl)-2-(trifluoromethyl)chromen-4-one?
The canonical SMILES for 7-hydroxy-5-methyl-3-(1-phenylpyrazol-4-yl)-2-(trifluoromethyl)chromen-4-one is Cc1cc(O)cc2oc(C(F)(F)F)c(-c3cnn(-c4ccccc4)c3)c(=O)c12.
What is the InChIKey of 7-hydroxy-5-methyl-3-(1-phenylpyrazol-4-yl)-2-(trifluoromethyl)chromen-4-one?
The InChIKey is AICWQXZGHCIEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N2O3/c1-11-7-14(26)8-15-16(11)18(27)17(19(28-15)20(21,22)23)12-9-24-25(10-12)13-5-3-2-4-6-13/h2-10,26H,1H3.
What are the key properties of 7-hydroxy-5-methyl-3-(1-phenylpyrazol-4-yl)-2-(trifluoromethyl)chromen-4-one?
7-hydroxy-5-methyl-3-(1-phenylpyrazol-4-yl)-2-(trifluoromethyl)chromen-4-one has a molecular weight of 386.33 g/mol, XLogP of 4.68, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-5-methyl-3-(1-phenylpyrazol-4-yl)-2-(trifluoromethyl)chromen-4-one is sourced from PubChem (CID 5449380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).