1,3-diethyl-7-hydroxy-6-methylchromeno[4,3-d]pyrazol-4-one

C15H16N2O3 — CID 10265248

IUPAC1,3-diethyl-7-hydroxy-6-methylchromeno[4,3-d]pyrazol-4-one
SMILESCCc1nn(CC)c2c(=O)oc3c(C)c(O)ccc3c12
InChIInChI=1S/C15H16N2O3/c1-4-10-12-9-6-7-11(18)8(3)14(9)20-15(19)13(12)17(5-2)16-10/h6-7,18H,4-5H2,1-3H3
InChIKeyOBOYHNKCCDDSRX-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.74
Rot. Bonds2

About 1,3-diethyl-7-hydroxy-6-methylchromeno[4,3-d]pyrazol-4-one

1,3-diethyl-7-hydroxy-6-methylchromeno[4,3-d]pyrazol-4-one (PubChem CID 10265248) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 1,3-diethyl-7-hydroxy-6-methylchromeno[4,3-d]pyrazol-4-one.

Molecular Properties

Compound Name1,3-diethyl-7-hydroxy-6-methylchromeno[4,3-d]pyrazol-4-one
PubChem CID10265248
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name1,3-diethyl-7-hydroxy-6-methylchromeno[4,3-d]pyrazol-4-one
SMILESCCc1nn(CC)c2c(=O)oc3c(C)c(O)ccc3c12
InChIInChI=1S/C15H16N2O3/c1-4-10-12-9-6-7-11(18)8(3)14(9)20-15(19)13(12)17(5-2)16-10/h6-7,18H,4-5H2,1-3H3
InChIKeyOBOYHNKCCDDSRX-UHFFFAOYSA-N
XLogP2.74
TPSA68.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-7-hydroxy-6-methylchromeno[4,3-d]pyrazol-4-one?
The IUPAC name of 1,3-diethyl-7-hydroxy-6-methylchromeno[4,3-d]pyrazol-4-one (CID 10265248) is 1,3-diethyl-7-hydroxy-6-methylchromeno[4,3-d]pyrazol-4-one.
What is the SMILES notation for 1,3-diethyl-7-hydroxy-6-methylchromeno[4,3-d]pyrazol-4-one?
The canonical SMILES for 1,3-diethyl-7-hydroxy-6-methylchromeno[4,3-d]pyrazol-4-one is CCc1nn(CC)c2c(=O)oc3c(C)c(O)ccc3c12.
What is the InChIKey of 1,3-diethyl-7-hydroxy-6-methylchromeno[4,3-d]pyrazol-4-one?
The InChIKey is OBOYHNKCCDDSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-4-10-12-9-6-7-11(18)8(3)14(9)20-15(19)13(12)17(5-2)16-10/h6-7,18H,4-5H2,1-3H3.
What are the key properties of 1,3-diethyl-7-hydroxy-6-methylchromeno[4,3-d]pyrazol-4-one?
1,3-diethyl-7-hydroxy-6-methylchromeno[4,3-d]pyrazol-4-one has a molecular weight of 272.30 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-7-hydroxy-6-methylchromeno[4,3-d]pyrazol-4-one is sourced from PubChem (CID 10265248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).