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

C21H18N2O4 — CID 71561302

IUPAC5,7-dimethoxy-8-(2-methylpyrazol-3-yl)-2-phenylchromen-4-one
SMILESCOc1cc(OC)c2c(=O)cc(-c3ccccc3)oc2c1-c1ccnn1C
InChIInChI=1S/C21H18N2O4/c1-23-14(9-10-22-23)19-17(25-2)12-18(26-3)20-15(24)11-16(27-21(19)20)13-7-5-4-6-8-13/h4-12H,1-3H3
InChIKeyCEQQROWTDVDMQY-UHFFFAOYSA-N
MW362.39 g/mol
LogP3.88
Rot. Bonds4

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

5,7-dimethoxy-8-(2-methylpyrazol-3-yl)-2-phenylchromen-4-one (PubChem CID 71561302) has the molecular formula C21H18N2O4 and a molecular weight of 362.39 g/mol. Its IUPAC name is 5,7-dimethoxy-8-(2-methylpyrazol-3-yl)-2-phenylchromen-4-one.

Molecular Properties

Compound Name5,7-dimethoxy-8-(2-methylpyrazol-3-yl)-2-phenylchromen-4-one
PubChem CID71561302
Molecular FormulaC21H18N2O4
Molecular Weight362.39 g/mol
Exact Mass362.13
IUPAC Name5,7-dimethoxy-8-(2-methylpyrazol-3-yl)-2-phenylchromen-4-one
SMILESCOc1cc(OC)c2c(=O)cc(-c3ccccc3)oc2c1-c1ccnn1C
InChIInChI=1S/C21H18N2O4/c1-23-14(9-10-22-23)19-17(25-2)12-18(26-3)20-15(24)11-16(27-21(19)20)13-7-5-4-6-8-13/h4-12H,1-3H3
InChIKeyCEQQROWTDVDMQY-UHFFFAOYSA-N
XLogP3.88
TPSA66.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethoxy-8-(2-methylpyrazol-3-yl)-2-phenylchromen-4-one?
The IUPAC name of 5,7-dimethoxy-8-(2-methylpyrazol-3-yl)-2-phenylchromen-4-one (CID 71561302) is 5,7-dimethoxy-8-(2-methylpyrazol-3-yl)-2-phenylchromen-4-one.
What is the SMILES notation for 5,7-dimethoxy-8-(2-methylpyrazol-3-yl)-2-phenylchromen-4-one?
The canonical SMILES for 5,7-dimethoxy-8-(2-methylpyrazol-3-yl)-2-phenylchromen-4-one is COc1cc(OC)c2c(=O)cc(-c3ccccc3)oc2c1-c1ccnn1C.
What is the InChIKey of 5,7-dimethoxy-8-(2-methylpyrazol-3-yl)-2-phenylchromen-4-one?
The InChIKey is CEQQROWTDVDMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O4/c1-23-14(9-10-22-23)19-17(25-2)12-18(26-3)20-15(24)11-16(27-21(19)20)13-7-5-4-6-8-13/h4-12H,1-3H3.
What are the key properties of 5,7-dimethoxy-8-(2-methylpyrazol-3-yl)-2-phenylchromen-4-one?
5,7-dimethoxy-8-(2-methylpyrazol-3-yl)-2-phenylchromen-4-one has a molecular weight of 362.39 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethoxy-8-(2-methylpyrazol-3-yl)-2-phenylchromen-4-one is sourced from PubChem (CID 71561302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).