1-(3-aminophenyl)-6-methoxy-3-methylchromeno[3,2-d]pyrazol-4-one

C18H15N3O3 — CID 10245507

IUPAC1-(3-aminophenyl)-6-methoxy-3-methylchromeno[3,2-d]pyrazol-4-one
SMILESCOc1ccc2oc3c(c(C)nn3-c3cccc(N)c3)c(=O)c2c1
InChIInChI=1S/C18H15N3O3/c1-10-16-17(22)14-9-13(23-2)6-7-15(14)24-18(16)21(20-10)12-5-3-4-11(19)8-12/h3-9H,19H2,1-2H3
InChIKeyYIALGSMGEHOYMP-UHFFFAOYSA-N
MW321.34 g/mol
LogP3.03
Rot. Bonds2

About 1-(3-aminophenyl)-6-methoxy-3-methylchromeno[3,2-d]pyrazol-4-one

1-(3-aminophenyl)-6-methoxy-3-methylchromeno[3,2-d]pyrazol-4-one (PubChem CID 10245507) has the molecular formula C18H15N3O3 and a molecular weight of 321.34 g/mol. Its IUPAC name is 1-(3-aminophenyl)-6-methoxy-3-methylchromeno[3,2-d]pyrazol-4-one.

Molecular Properties

Compound Name1-(3-aminophenyl)-6-methoxy-3-methylchromeno[3,2-d]pyrazol-4-one
PubChem CID10245507
Molecular FormulaC18H15N3O3
Molecular Weight321.34 g/mol
Exact Mass321.11
IUPAC Name1-(3-aminophenyl)-6-methoxy-3-methylchromeno[3,2-d]pyrazol-4-one
SMILESCOc1ccc2oc3c(c(C)nn3-c3cccc(N)c3)c(=O)c2c1
InChIInChI=1S/C18H15N3O3/c1-10-16-17(22)14-9-13(23-2)6-7-15(14)24-18(16)21(20-10)12-5-3-4-11(19)8-12/h3-9H,19H2,1-2H3
InChIKeyYIALGSMGEHOYMP-UHFFFAOYSA-N
XLogP3.03
TPSA83.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-6-methoxy-3-methylchromeno[3,2-d]pyrazol-4-one?
The IUPAC name of 1-(3-aminophenyl)-6-methoxy-3-methylchromeno[3,2-d]pyrazol-4-one (CID 10245507) is 1-(3-aminophenyl)-6-methoxy-3-methylchromeno[3,2-d]pyrazol-4-one.
What is the SMILES notation for 1-(3-aminophenyl)-6-methoxy-3-methylchromeno[3,2-d]pyrazol-4-one?
The canonical SMILES for 1-(3-aminophenyl)-6-methoxy-3-methylchromeno[3,2-d]pyrazol-4-one is COc1ccc2oc3c(c(C)nn3-c3cccc(N)c3)c(=O)c2c1.
What is the InChIKey of 1-(3-aminophenyl)-6-methoxy-3-methylchromeno[3,2-d]pyrazol-4-one?
The InChIKey is YIALGSMGEHOYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3/c1-10-16-17(22)14-9-13(23-2)6-7-15(14)24-18(16)21(20-10)12-5-3-4-11(19)8-12/h3-9H,19H2,1-2H3.
What are the key properties of 1-(3-aminophenyl)-6-methoxy-3-methylchromeno[3,2-d]pyrazol-4-one?
1-(3-aminophenyl)-6-methoxy-3-methylchromeno[3,2-d]pyrazol-4-one has a molecular weight of 321.34 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-6-methoxy-3-methylchromeno[3,2-d]pyrazol-4-one is sourced from PubChem (CID 10245507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).