7,8-dihydroxy-2-methyl-3-(1-phenylpyrazol-4-yl)chromen-4-one

C19H14N2O4 — CID 5310850

IUPAC7,8-dihydroxy-2-methyl-3-(1-phenylpyrazol-4-yl)chromen-4-one
SMILESCc1oc2c(O)c(O)ccc2c(=O)c1-c1cnn(-c2ccccc2)c1
InChIInChI=1S/C19H14N2O4/c1-11-16(12-9-20-21(10-12)13-5-3-2-4-6-13)17(23)14-7-8-15(22)18(24)19(14)25-11/h2-10,22,24H,1H3
InChIKeyZVWHFHQBQHDONN-UHFFFAOYSA-N
MW334.33 g/mol
LogP3.37
Rot. Bonds2

About 7,8-dihydroxy-2-methyl-3-(1-phenylpyrazol-4-yl)chromen-4-one

7,8-dihydroxy-2-methyl-3-(1-phenylpyrazol-4-yl)chromen-4-one (PubChem CID 5310850) has the molecular formula C19H14N2O4 and a molecular weight of 334.33 g/mol. Its IUPAC name is 7,8-dihydroxy-2-methyl-3-(1-phenylpyrazol-4-yl)chromen-4-one.

Molecular Properties

Compound Name7,8-dihydroxy-2-methyl-3-(1-phenylpyrazol-4-yl)chromen-4-one
PubChem CID5310850
Molecular FormulaC19H14N2O4
Molecular Weight334.33 g/mol
Exact Mass334.10
IUPAC Name7,8-dihydroxy-2-methyl-3-(1-phenylpyrazol-4-yl)chromen-4-one
SMILESCc1oc2c(O)c(O)ccc2c(=O)c1-c1cnn(-c2ccccc2)c1
InChIInChI=1S/C19H14N2O4/c1-11-16(12-9-20-21(10-12)13-5-3-2-4-6-13)17(23)14-7-8-15(22)18(24)19(14)25-11/h2-10,22,24H,1H3
InChIKeyZVWHFHQBQHDONN-UHFFFAOYSA-N
XLogP3.37
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 7,8-dihydroxy-2-methyl-3-(1-phenylpyrazol-4-yl)chromen-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7,8-dihydroxy-2-methyl-3-(1-phenylpyrazol-4-yl)chromen-4-one?
The IUPAC name of 7,8-dihydroxy-2-methyl-3-(1-phenylpyrazol-4-yl)chromen-4-one (CID 5310850) is 7,8-dihydroxy-2-methyl-3-(1-phenylpyrazol-4-yl)chromen-4-one.
What is the SMILES notation for 7,8-dihydroxy-2-methyl-3-(1-phenylpyrazol-4-yl)chromen-4-one?
The canonical SMILES for 7,8-dihydroxy-2-methyl-3-(1-phenylpyrazol-4-yl)chromen-4-one is Cc1oc2c(O)c(O)ccc2c(=O)c1-c1cnn(-c2ccccc2)c1.
What is the InChIKey of 7,8-dihydroxy-2-methyl-3-(1-phenylpyrazol-4-yl)chromen-4-one?
The InChIKey is ZVWHFHQBQHDONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O4/c1-11-16(12-9-20-21(10-12)13-5-3-2-4-6-13)17(23)14-7-8-15(22)18(24)19(14)25-11/h2-10,22,24H,1H3.
What are the key properties of 7,8-dihydroxy-2-methyl-3-(1-phenylpyrazol-4-yl)chromen-4-one?
7,8-dihydroxy-2-methyl-3-(1-phenylpyrazol-4-yl)chromen-4-one has a molecular weight of 334.33 g/mol, XLogP of 3.37, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dihydroxy-2-methyl-3-(1-phenylpyrazol-4-yl)chromen-4-one is sourced from PubChem (CID 5310850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).