3-(pyrazole-1-carbonyl)chromen-2-one

C13H8N2O3 — CID 844698

IUPAC3-(pyrazole-1-carbonyl)chromen-2-one
SMILESO=C(c1cc2ccccc2oc1=O)n1cccn1
InChIInChI=1S/C13H8N2O3/c16-12(15-7-3-6-14-15)10-8-9-4-1-2-5-11(9)18-13(10)17/h1-8H
InChIKeySYNWVRYUPXABIK-UHFFFAOYSA-N
MW240.22 g/mol
LogP1.68
Rot. Bonds1

About 3-(pyrazole-1-carbonyl)chromen-2-one

3-(pyrazole-1-carbonyl)chromen-2-one (PubChem CID 844698) has the molecular formula C13H8N2O3 and a molecular weight of 240.22 g/mol. Its IUPAC name is 3-(pyrazole-1-carbonyl)chromen-2-one.

Molecular Properties

Compound Name3-(pyrazole-1-carbonyl)chromen-2-one
PubChem CID844698
Molecular FormulaC13H8N2O3
Molecular Weight240.22 g/mol
Exact Mass240.05
IUPAC Name3-(pyrazole-1-carbonyl)chromen-2-one
SMILESO=C(c1cc2ccccc2oc1=O)n1cccn1
InChIInChI=1S/C13H8N2O3/c16-12(15-7-3-6-14-15)10-8-9-4-1-2-5-11(9)18-13(10)17/h1-8H
InChIKeySYNWVRYUPXABIK-UHFFFAOYSA-N
XLogP1.68
TPSA65.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 51.68
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-(pyrazole-1-carbonyl)chromen-2-one?
The IUPAC name of 3-(pyrazole-1-carbonyl)chromen-2-one (CID 844698) is 3-(pyrazole-1-carbonyl)chromen-2-one.
What is the SMILES notation for 3-(pyrazole-1-carbonyl)chromen-2-one?
The canonical SMILES for 3-(pyrazole-1-carbonyl)chromen-2-one is O=C(c1cc2ccccc2oc1=O)n1cccn1.
What is the InChIKey of 3-(pyrazole-1-carbonyl)chromen-2-one?
The InChIKey is SYNWVRYUPXABIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N2O3/c16-12(15-7-3-6-14-15)10-8-9-4-1-2-5-11(9)18-13(10)17/h1-8H.
What are the key properties of 3-(pyrazole-1-carbonyl)chromen-2-one?
3-(pyrazole-1-carbonyl)chromen-2-one has a molecular weight of 240.22 g/mol, XLogP of 1.68, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyrazole-1-carbonyl)chromen-2-one is sourced from PubChem (CID 844698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).