1-(3-aminophenyl)-7-hydroxy-3-methylchromeno[3,2-d]pyrazol-4-one

C17H13N3O3 — CID 10244688

IUPAC1-(3-aminophenyl)-7-hydroxy-3-methylchromeno[3,2-d]pyrazol-4-one
SMILESCc1nn(-c2cccc(N)c2)c2oc3cc(O)ccc3c(=O)c12
InChIInChI=1S/C17H13N3O3/c1-9-15-16(22)13-6-5-12(21)8-14(13)23-17(15)20(19-9)11-4-2-3-10(18)7-11/h2-8,21H,18H2,1H3
InChIKeyNSRFCGVAMRWLHJ-UHFFFAOYSA-N
MW307.31 g/mol
LogP2.73
Rot. Bonds1

About 1-(3-aminophenyl)-7-hydroxy-3-methylchromeno[3,2-d]pyrazol-4-one

1-(3-aminophenyl)-7-hydroxy-3-methylchromeno[3,2-d]pyrazol-4-one (PubChem CID 10244688) has the molecular formula C17H13N3O3 and a molecular weight of 307.31 g/mol. Its IUPAC name is 1-(3-aminophenyl)-7-hydroxy-3-methylchromeno[3,2-d]pyrazol-4-one.

Molecular Properties

Compound Name1-(3-aminophenyl)-7-hydroxy-3-methylchromeno[3,2-d]pyrazol-4-one
PubChem CID10244688
Molecular FormulaC17H13N3O3
Molecular Weight307.31 g/mol
Exact Mass307.10
IUPAC Name1-(3-aminophenyl)-7-hydroxy-3-methylchromeno[3,2-d]pyrazol-4-one
SMILESCc1nn(-c2cccc(N)c2)c2oc3cc(O)ccc3c(=O)c12
InChIInChI=1S/C17H13N3O3/c1-9-15-16(22)13-6-5-12(21)8-14(13)23-17(15)20(19-9)11-4-2-3-10(18)7-11/h2-8,21H,18H2,1H3
InChIKeyNSRFCGVAMRWLHJ-UHFFFAOYSA-N
XLogP2.73
TPSA94.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 52.73
H-Bond Donors ≤ 52
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)-7-hydroxy-3-methylchromeno[3,2-d]pyrazol-4-one?
The IUPAC name of 1-(3-aminophenyl)-7-hydroxy-3-methylchromeno[3,2-d]pyrazol-4-one (CID 10244688) is 1-(3-aminophenyl)-7-hydroxy-3-methylchromeno[3,2-d]pyrazol-4-one.
What is the SMILES notation for 1-(3-aminophenyl)-7-hydroxy-3-methylchromeno[3,2-d]pyrazol-4-one?
The canonical SMILES for 1-(3-aminophenyl)-7-hydroxy-3-methylchromeno[3,2-d]pyrazol-4-one is Cc1nn(-c2cccc(N)c2)c2oc3cc(O)ccc3c(=O)c12.
What is the InChIKey of 1-(3-aminophenyl)-7-hydroxy-3-methylchromeno[3,2-d]pyrazol-4-one?
The InChIKey is NSRFCGVAMRWLHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O3/c1-9-15-16(22)13-6-5-12(21)8-14(13)23-17(15)20(19-9)11-4-2-3-10(18)7-11/h2-8,21H,18H2,1H3.
What are the key properties of 1-(3-aminophenyl)-7-hydroxy-3-methylchromeno[3,2-d]pyrazol-4-one?
1-(3-aminophenyl)-7-hydroxy-3-methylchromeno[3,2-d]pyrazol-4-one has a molecular weight of 307.31 g/mol, XLogP of 2.73, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-7-hydroxy-3-methylchromeno[3,2-d]pyrazol-4-one is sourced from PubChem (CID 10244688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).