3-(2,5-dimethylpyrazol-3-yl)-6-methoxychromen-2-one

C15H14N2O3 — CID 110167873

IUPAC3-(2,5-dimethylpyrazol-3-yl)-6-methoxychromen-2-one
SMILESCOc1ccc2oc(=O)c(-c3cc(C)nn3C)cc2c1
InChIInChI=1S/C15H14N2O3/c1-9-6-13(17(2)16-9)12-8-10-7-11(19-3)4-5-14(10)20-15(12)18/h4-8H,1-3H3
InChIKeyCJDKXOPKSILJBF-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.51
Rot. Bonds2

About 3-(2,5-dimethylpyrazol-3-yl)-6-methoxychromen-2-one

3-(2,5-dimethylpyrazol-3-yl)-6-methoxychromen-2-one (PubChem CID 110167873) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 3-(2,5-dimethylpyrazol-3-yl)-6-methoxychromen-2-one.

Molecular Properties

Compound Name3-(2,5-dimethylpyrazol-3-yl)-6-methoxychromen-2-one
PubChem CID110167873
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name3-(2,5-dimethylpyrazol-3-yl)-6-methoxychromen-2-one
SMILESCOc1ccc2oc(=O)c(-c3cc(C)nn3C)cc2c1
InChIInChI=1S/C15H14N2O3/c1-9-6-13(17(2)16-9)12-8-10-7-11(19-3)4-5-14(10)20-15(12)18/h4-8H,1-3H3
InChIKeyCJDKXOPKSILJBF-UHFFFAOYSA-N
XLogP2.51
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.51
H-Bond Donors ≤ 50
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 3-(2,5-dimethylpyrazol-3-yl)-6-methoxychromen-2-one?
The IUPAC name of 3-(2,5-dimethylpyrazol-3-yl)-6-methoxychromen-2-one (CID 110167873) is 3-(2,5-dimethylpyrazol-3-yl)-6-methoxychromen-2-one.
What is the SMILES notation for 3-(2,5-dimethylpyrazol-3-yl)-6-methoxychromen-2-one?
The canonical SMILES for 3-(2,5-dimethylpyrazol-3-yl)-6-methoxychromen-2-one is COc1ccc2oc(=O)c(-c3cc(C)nn3C)cc2c1.
What is the InChIKey of 3-(2,5-dimethylpyrazol-3-yl)-6-methoxychromen-2-one?
The InChIKey is CJDKXOPKSILJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-9-6-13(17(2)16-9)12-8-10-7-11(19-3)4-5-14(10)20-15(12)18/h4-8H,1-3H3.
What are the key properties of 3-(2,5-dimethylpyrazol-3-yl)-6-methoxychromen-2-one?
3-(2,5-dimethylpyrazol-3-yl)-6-methoxychromen-2-one has a molecular weight of 270.29 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylpyrazol-3-yl)-6-methoxychromen-2-one is sourced from PubChem (CID 110167873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).