2-(furan-2-yl)-5,7-dimethoxy-8-(2-methylpyrazol-3-yl)chromen-4-one

C19H16N2O5 — CID 71559550

IUPAC2-(furan-2-yl)-5,7-dimethoxy-8-(2-methylpyrazol-3-yl)chromen-4-one
SMILESCOc1cc(OC)c2c(=O)cc(-c3ccco3)oc2c1-c1ccnn1C
InChIInChI=1S/C19H16N2O5/c1-21-11(6-7-20-21)17-15(23-2)10-16(24-3)18-12(22)9-14(26-19(17)18)13-5-4-8-25-13/h4-10H,1-3H3
InChIKeyDICZPKMTRZFBDL-UHFFFAOYSA-N
MW352.35 g/mol
LogP3.47
Rot. Bonds4

About 2-(furan-2-yl)-5,7-dimethoxy-8-(2-methylpyrazol-3-yl)chromen-4-one

2-(furan-2-yl)-5,7-dimethoxy-8-(2-methylpyrazol-3-yl)chromen-4-one (PubChem CID 71559550) has the molecular formula C19H16N2O5 and a molecular weight of 352.35 g/mol. Its IUPAC name is 2-(furan-2-yl)-5,7-dimethoxy-8-(2-methylpyrazol-3-yl)chromen-4-one.

Molecular Properties

Compound Name2-(furan-2-yl)-5,7-dimethoxy-8-(2-methylpyrazol-3-yl)chromen-4-one
PubChem CID71559550
Molecular FormulaC19H16N2O5
Molecular Weight352.35 g/mol
Exact Mass352.11
IUPAC Name2-(furan-2-yl)-5,7-dimethoxy-8-(2-methylpyrazol-3-yl)chromen-4-one
SMILESCOc1cc(OC)c2c(=O)cc(-c3ccco3)oc2c1-c1ccnn1C
InChIInChI=1S/C19H16N2O5/c1-21-11(6-7-20-21)17-15(23-2)10-16(24-3)18-12(22)9-14(26-19(17)18)13-5-4-8-25-13/h4-10H,1-3H3
InChIKeyDICZPKMTRZFBDL-UHFFFAOYSA-N
XLogP3.47
TPSA79.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-5,7-dimethoxy-8-(2-methylpyrazol-3-yl)chromen-4-one?
The IUPAC name of 2-(furan-2-yl)-5,7-dimethoxy-8-(2-methylpyrazol-3-yl)chromen-4-one (CID 71559550) is 2-(furan-2-yl)-5,7-dimethoxy-8-(2-methylpyrazol-3-yl)chromen-4-one.
What is the SMILES notation for 2-(furan-2-yl)-5,7-dimethoxy-8-(2-methylpyrazol-3-yl)chromen-4-one?
The canonical SMILES for 2-(furan-2-yl)-5,7-dimethoxy-8-(2-methylpyrazol-3-yl)chromen-4-one is COc1cc(OC)c2c(=O)cc(-c3ccco3)oc2c1-c1ccnn1C.
What is the InChIKey of 2-(furan-2-yl)-5,7-dimethoxy-8-(2-methylpyrazol-3-yl)chromen-4-one?
The InChIKey is DICZPKMTRZFBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O5/c1-21-11(6-7-20-21)17-15(23-2)10-16(24-3)18-12(22)9-14(26-19(17)18)13-5-4-8-25-13/h4-10H,1-3H3.
What are the key properties of 2-(furan-2-yl)-5,7-dimethoxy-8-(2-methylpyrazol-3-yl)chromen-4-one?
2-(furan-2-yl)-5,7-dimethoxy-8-(2-methylpyrazol-3-yl)chromen-4-one has a molecular weight of 352.35 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-5,7-dimethoxy-8-(2-methylpyrazol-3-yl)chromen-4-one is sourced from PubChem (CID 71559550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).