6-methoxy-3-(3-methylpyrazole-1-carbonyl)chromen-2-one

C15H12N2O4 — CID 2146209

IUPAC6-methoxy-3-(3-methylpyrazole-1-carbonyl)chromen-2-one
SMILESCOc1ccc2oc(=O)c(C(=O)n3ccc(C)n3)cc2c1
InChIInChI=1S/C15H12N2O4/c1-9-5-6-17(16-9)14(18)12-8-10-7-11(20-2)3-4-13(10)21-15(12)19/h3-8H,1-2H3
InChIKeyZCSWXQGFBBXYKW-UHFFFAOYSA-N
MW284.27 g/mol
LogP2.00
Rot. Bonds2

About 6-methoxy-3-(3-methylpyrazole-1-carbonyl)chromen-2-one

6-methoxy-3-(3-methylpyrazole-1-carbonyl)chromen-2-one (PubChem CID 2146209) has the molecular formula C15H12N2O4 and a molecular weight of 284.27 g/mol. Its IUPAC name is 6-methoxy-3-(3-methylpyrazole-1-carbonyl)chromen-2-one.

Molecular Properties

Compound Name6-methoxy-3-(3-methylpyrazole-1-carbonyl)chromen-2-one
PubChem CID2146209
Molecular FormulaC15H12N2O4
Molecular Weight284.27 g/mol
Exact Mass284.08
IUPAC Name6-methoxy-3-(3-methylpyrazole-1-carbonyl)chromen-2-one
SMILESCOc1ccc2oc(=O)c(C(=O)n3ccc(C)n3)cc2c1
InChIInChI=1S/C15H12N2O4/c1-9-5-6-17(16-9)14(18)12-8-10-7-11(20-2)3-4-13(10)21-15(12)19/h3-8H,1-2H3
InChIKeyZCSWXQGFBBXYKW-UHFFFAOYSA-N
XLogP2.00
TPSA74.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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CID 19207203
6-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxochromene-3-carboxamide
CID 19207124
3-(4-bromobenzoyl)-6-methoxychromen-2-one
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CID 6456871
3-(2,5-dimethylpyrazol-3-yl)-6-methoxychromen-2-one
CID 110167873
(4-methoxycarbonylphenyl) 6-methoxy-2-oxochromene-3-carboxylate
CID 19207230
6-methoxy-3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]chromen-2-one
CID 2238171
(2-chlorophenyl) 6-methoxy-2-oxochromene-3-carboxylate
CID 2990698
N-(2,6-difluorophenyl)-6-methoxy-2-oxochromene-3-carboxamide
CID 4059771
6-methoxy-N-(3-methoxypropyl)-2-oxochromene-3-carboxamide
CID 2148152

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-(3-methylpyrazole-1-carbonyl)chromen-2-one?
The IUPAC name of 6-methoxy-3-(3-methylpyrazole-1-carbonyl)chromen-2-one (CID 2146209) is 6-methoxy-3-(3-methylpyrazole-1-carbonyl)chromen-2-one.
What is the SMILES notation for 6-methoxy-3-(3-methylpyrazole-1-carbonyl)chromen-2-one?
The canonical SMILES for 6-methoxy-3-(3-methylpyrazole-1-carbonyl)chromen-2-one is COc1ccc2oc(=O)c(C(=O)n3ccc(C)n3)cc2c1.
What is the InChIKey of 6-methoxy-3-(3-methylpyrazole-1-carbonyl)chromen-2-one?
The InChIKey is ZCSWXQGFBBXYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O4/c1-9-5-6-17(16-9)14(18)12-8-10-7-11(20-2)3-4-13(10)21-15(12)19/h3-8H,1-2H3.
What are the key properties of 6-methoxy-3-(3-methylpyrazole-1-carbonyl)chromen-2-one?
6-methoxy-3-(3-methylpyrazole-1-carbonyl)chromen-2-one has a molecular weight of 284.27 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-(3-methylpyrazole-1-carbonyl)chromen-2-one is sourced from PubChem (CID 2146209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).