5-(3,4-dimethoxyphenyl)-2-pyridin-2-yl-4H-pyrazol-3-one

C16H15N3O3 — CID 155577599

IUPAC5-(3,4-dimethoxyphenyl)-2-pyridin-2-yl-4H-pyrazol-3-one
SMILESCOc1ccc(C2=NN(c3ccccn3)C(=O)C2)cc1OC
InChIInChI=1S/C16H15N3O3/c1-21-13-7-6-11(9-14(13)22-2)12-10-16(20)19(18-12)15-5-3-4-8-17-15/h3-9H,10H2,1-2H3
InChIKeyOAMBPXFOZYDURC-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.24
Rot. Bonds4

About 5-(3,4-dimethoxyphenyl)-2-pyridin-2-yl-4H-pyrazol-3-one

5-(3,4-dimethoxyphenyl)-2-pyridin-2-yl-4H-pyrazol-3-one (PubChem CID 155577599) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-2-pyridin-2-yl-4H-pyrazol-3-one.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-2-pyridin-2-yl-4H-pyrazol-3-one
PubChem CID155577599
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name5-(3,4-dimethoxyphenyl)-2-pyridin-2-yl-4H-pyrazol-3-one
SMILESCOc1ccc(C2=NN(c3ccccn3)C(=O)C2)cc1OC
InChIInChI=1S/C16H15N3O3/c1-21-13-7-6-11(9-14(13)22-2)12-10-16(20)19(18-12)15-5-3-4-8-17-15/h3-9H,10H2,1-2H3
InChIKeyOAMBPXFOZYDURC-UHFFFAOYSA-N
XLogP2.24
TPSA64.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-2-pyridin-2-yl-4H-pyrazol-3-one?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-2-pyridin-2-yl-4H-pyrazol-3-one (CID 155577599) is 5-(3,4-dimethoxyphenyl)-2-pyridin-2-yl-4H-pyrazol-3-one.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-2-pyridin-2-yl-4H-pyrazol-3-one?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-2-pyridin-2-yl-4H-pyrazol-3-one is COc1ccc(C2=NN(c3ccccn3)C(=O)C2)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-2-pyridin-2-yl-4H-pyrazol-3-one?
The InChIKey is OAMBPXFOZYDURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-21-13-7-6-11(9-14(13)22-2)12-10-16(20)19(18-12)15-5-3-4-8-17-15/h3-9H,10H2,1-2H3.
What are the key properties of 5-(3,4-dimethoxyphenyl)-2-pyridin-2-yl-4H-pyrazol-3-one?
5-(3,4-dimethoxyphenyl)-2-pyridin-2-yl-4H-pyrazol-3-one has a molecular weight of 297.31 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-2-pyridin-2-yl-4H-pyrazol-3-one is sourced from PubChem (CID 155577599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).