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

C15H13N3O2 — CID 155773783

IUPAC5-(4-methoxyphenyl)-2-pyridin-2-yl-4H-pyrazol-3-one
SMILESCOc1ccc(C2=NN(c3ccccn3)C(=O)C2)cc1
InChIInChI=1S/C15H13N3O2/c1-20-12-7-5-11(6-8-12)13-10-15(19)18(17-13)14-4-2-3-9-16-14/h2-9H,10H2,1H3
InChIKeyDXWBEIPEDHYRHM-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.23
Rot. Bonds3

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

5-(4-methoxyphenyl)-2-pyridin-2-yl-4H-pyrazol-3-one (PubChem CID 155773783) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-2-pyridin-2-yl-4H-pyrazol-3-one.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-2-pyridin-2-yl-4H-pyrazol-3-one
PubChem CID155773783
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name5-(4-methoxyphenyl)-2-pyridin-2-yl-4H-pyrazol-3-one
SMILESCOc1ccc(C2=NN(c3ccccn3)C(=O)C2)cc1
InChIInChI=1S/C15H13N3O2/c1-20-12-7-5-11(6-8-12)13-10-15(19)18(17-13)14-4-2-3-9-16-14/h2-9H,10H2,1H3
InChIKeyDXWBEIPEDHYRHM-UHFFFAOYSA-N
XLogP2.23
TPSA54.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-2-pyridin-2-yl-4H-pyrazol-3-one?
The IUPAC name of 5-(4-methoxyphenyl)-2-pyridin-2-yl-4H-pyrazol-3-one (CID 155773783) is 5-(4-methoxyphenyl)-2-pyridin-2-yl-4H-pyrazol-3-one.
What is the SMILES notation for 5-(4-methoxyphenyl)-2-pyridin-2-yl-4H-pyrazol-3-one?
The canonical SMILES for 5-(4-methoxyphenyl)-2-pyridin-2-yl-4H-pyrazol-3-one is COc1ccc(C2=NN(c3ccccn3)C(=O)C2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-2-pyridin-2-yl-4H-pyrazol-3-one?
The InChIKey is DXWBEIPEDHYRHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-20-12-7-5-11(6-8-12)13-10-15(19)18(17-13)14-4-2-3-9-16-14/h2-9H,10H2,1H3.
What are the key properties of 5-(4-methoxyphenyl)-2-pyridin-2-yl-4H-pyrazol-3-one?
5-(4-methoxyphenyl)-2-pyridin-2-yl-4H-pyrazol-3-one has a molecular weight of 267.29 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-2-pyridin-2-yl-4H-pyrazol-3-one is sourced from PubChem (CID 155773783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).