5,7-dimethoxy-8-(2-methylpyrazol-3-yl)-2-thiophen-2-ylchromen-4-one

C19H16N2O4S — CID 71559551

IUPAC5,7-dimethoxy-8-(2-methylpyrazol-3-yl)-2-thiophen-2-ylchromen-4-one
SMILESCOc1cc(OC)c2c(=O)cc(-c3cccs3)oc2c1-c1ccnn1C
InChIInChI=1S/C19H16N2O4S/c1-21-11(6-7-20-21)17-14(23-2)10-15(24-3)18-12(22)9-13(25-19(17)18)16-5-4-8-26-16/h4-10H,1-3H3
InChIKeyWCFYXSFDHGBEOL-UHFFFAOYSA-N
MW368.41 g/mol
LogP3.94
Rot. Bonds4

About 5,7-dimethoxy-8-(2-methylpyrazol-3-yl)-2-thiophen-2-ylchromen-4-one

5,7-dimethoxy-8-(2-methylpyrazol-3-yl)-2-thiophen-2-ylchromen-4-one (PubChem CID 71559551) has the molecular formula C19H16N2O4S and a molecular weight of 368.41 g/mol. Its IUPAC name is 5,7-dimethoxy-8-(2-methylpyrazol-3-yl)-2-thiophen-2-ylchromen-4-one.

Molecular Properties

Compound Name5,7-dimethoxy-8-(2-methylpyrazol-3-yl)-2-thiophen-2-ylchromen-4-one
PubChem CID71559551
Molecular FormulaC19H16N2O4S
Molecular Weight368.41 g/mol
Exact Mass368.08
IUPAC Name5,7-dimethoxy-8-(2-methylpyrazol-3-yl)-2-thiophen-2-ylchromen-4-one
SMILESCOc1cc(OC)c2c(=O)cc(-c3cccs3)oc2c1-c1ccnn1C
InChIInChI=1S/C19H16N2O4S/c1-21-11(6-7-20-21)17-14(23-2)10-15(24-3)18-12(22)9-13(25-19(17)18)16-5-4-8-26-16/h4-10H,1-3H3
InChIKeyWCFYXSFDHGBEOL-UHFFFAOYSA-N
XLogP3.94
TPSA66.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethoxy-8-(2-methylpyrazol-3-yl)-2-thiophen-2-ylchromen-4-one?
The IUPAC name of 5,7-dimethoxy-8-(2-methylpyrazol-3-yl)-2-thiophen-2-ylchromen-4-one (CID 71559551) is 5,7-dimethoxy-8-(2-methylpyrazol-3-yl)-2-thiophen-2-ylchromen-4-one.
What is the SMILES notation for 5,7-dimethoxy-8-(2-methylpyrazol-3-yl)-2-thiophen-2-ylchromen-4-one?
The canonical SMILES for 5,7-dimethoxy-8-(2-methylpyrazol-3-yl)-2-thiophen-2-ylchromen-4-one is COc1cc(OC)c2c(=O)cc(-c3cccs3)oc2c1-c1ccnn1C.
What is the InChIKey of 5,7-dimethoxy-8-(2-methylpyrazol-3-yl)-2-thiophen-2-ylchromen-4-one?
The InChIKey is WCFYXSFDHGBEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4S/c1-21-11(6-7-20-21)17-14(23-2)10-15(24-3)18-12(22)9-13(25-19(17)18)16-5-4-8-26-16/h4-10H,1-3H3.
What are the key properties of 5,7-dimethoxy-8-(2-methylpyrazol-3-yl)-2-thiophen-2-ylchromen-4-one?
5,7-dimethoxy-8-(2-methylpyrazol-3-yl)-2-thiophen-2-ylchromen-4-one has a molecular weight of 368.41 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethoxy-8-(2-methylpyrazol-3-yl)-2-thiophen-2-ylchromen-4-one is sourced from PubChem (CID 71559551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).