1-methylchromeno[2,3-d]pyrazol-9-one

C11H8N2O2 — CID 24905991

IUPAC1-methylchromeno[2,3-d]pyrazol-9-one
SMILESCn1ncc2oc3ccccc3c(=O)c21
InChIInChI=1S/C11H8N2O2/c1-13-10-9(6-12-13)15-8-5-3-2-4-7(8)11(10)14/h2-6H,1H3
InChIKeyARYNYYLJVYOTRI-UHFFFAOYSA-N
MW200.20 g/mol
LogP1.68
Rot. Bonds

About 1-methylchromeno[2,3-d]pyrazol-9-one

1-methylchromeno[2,3-d]pyrazol-9-one (PubChem CID 24905991) has the molecular formula C11H8N2O2 and a molecular weight of 200.20 g/mol. Its IUPAC name is 1-methylchromeno[2,3-d]pyrazol-9-one.

Molecular Properties

Compound Name1-methylchromeno[2,3-d]pyrazol-9-one
PubChem CID24905991
Molecular FormulaC11H8N2O2
Molecular Weight200.20 g/mol
Exact Mass200.06
IUPAC Name1-methylchromeno[2,3-d]pyrazol-9-one
SMILESCn1ncc2oc3ccccc3c(=O)c21
InChIInChI=1S/C11H8N2O2/c1-13-10-9(6-12-13)15-8-5-3-2-4-7(8)11(10)14/h2-6H,1H3
InChIKeyARYNYYLJVYOTRI-UHFFFAOYSA-N
XLogP1.68
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-methylchromeno[2,3-d]pyrazol-9-one?
The IUPAC name of 1-methylchromeno[2,3-d]pyrazol-9-one (CID 24905991) is 1-methylchromeno[2,3-d]pyrazol-9-one.
What is the SMILES notation for 1-methylchromeno[2,3-d]pyrazol-9-one?
The canonical SMILES for 1-methylchromeno[2,3-d]pyrazol-9-one is Cn1ncc2oc3ccccc3c(=O)c21.
What is the InChIKey of 1-methylchromeno[2,3-d]pyrazol-9-one?
The InChIKey is ARYNYYLJVYOTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O2/c1-13-10-9(6-12-13)15-8-5-3-2-4-7(8)11(10)14/h2-6H,1H3.
What are the key properties of 1-methylchromeno[2,3-d]pyrazol-9-one?
1-methylchromeno[2,3-d]pyrazol-9-one has a molecular weight of 200.20 g/mol, XLogP of 1.68, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylchromeno[2,3-d]pyrazol-9-one is sourced from PubChem (CID 24905991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).