5-amino-2-(4-phenoxyphenyl)-4H-pyrazol-3-one

C15H13N3O2 — CID 20788344

IUPAC5-amino-2-(4-phenoxyphenyl)-4H-pyrazol-3-one
SMILESNC1=NN(c2ccc(Oc3ccccc3)cc2)C(=O)C1
InChIInChI=1S/C15H13N3O2/c16-14-10-15(19)18(17-14)11-6-8-13(9-7-11)20-12-4-2-1-3-5-12/h1-9H,10H2,(H2,16,17)
InChIKeyOUSSFHWZBOKRAV-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.49
Rot. Bonds3

About 5-amino-2-(4-phenoxyphenyl)-4H-pyrazol-3-one

5-amino-2-(4-phenoxyphenyl)-4H-pyrazol-3-one (PubChem CID 20788344) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 5-amino-2-(4-phenoxyphenyl)-4H-pyrazol-3-one.

Molecular Properties

Compound Name5-amino-2-(4-phenoxyphenyl)-4H-pyrazol-3-one
PubChem CID20788344
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name5-amino-2-(4-phenoxyphenyl)-4H-pyrazol-3-one
SMILESNC1=NN(c2ccc(Oc3ccccc3)cc2)C(=O)C1
InChIInChI=1S/C15H13N3O2/c16-14-10-15(19)18(17-14)11-6-8-13(9-7-11)20-12-4-2-1-3-5-12/h1-9H,10H2,(H2,16,17)
InChIKeyOUSSFHWZBOKRAV-UHFFFAOYSA-N
XLogP2.49
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(4-phenoxyphenyl)-4H-pyrazol-3-one?
The IUPAC name of 5-amino-2-(4-phenoxyphenyl)-4H-pyrazol-3-one (CID 20788344) is 5-amino-2-(4-phenoxyphenyl)-4H-pyrazol-3-one.
What is the SMILES notation for 5-amino-2-(4-phenoxyphenyl)-4H-pyrazol-3-one?
The canonical SMILES for 5-amino-2-(4-phenoxyphenyl)-4H-pyrazol-3-one is NC1=NN(c2ccc(Oc3ccccc3)cc2)C(=O)C1.
What is the InChIKey of 5-amino-2-(4-phenoxyphenyl)-4H-pyrazol-3-one?
The InChIKey is OUSSFHWZBOKRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c16-14-10-15(19)18(17-14)11-6-8-13(9-7-11)20-12-4-2-1-3-5-12/h1-9H,10H2,(H2,16,17).
What are the key properties of 5-amino-2-(4-phenoxyphenyl)-4H-pyrazol-3-one?
5-amino-2-(4-phenoxyphenyl)-4H-pyrazol-3-one has a molecular weight of 267.29 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(4-phenoxyphenyl)-4H-pyrazol-3-one is sourced from PubChem (CID 20788344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).