5-hydroxy-4-phenyl-1,2-dihydropyrazol-3-one

C9H8N2O2 — CID 15618616

IUPAC5-hydroxy-4-phenyl-1,2-dihydropyrazol-3-one
SMILESO=c1[nH][nH]c(O)c1-c1ccccc1
InChIInChI=1S/C9H8N2O2/c12-8-7(9(13)11-10-8)6-4-2-1-3-5-6/h1-5H,(H3,10,11,12,13)
InChIKeyAIZKTZJJFLVPQX-UHFFFAOYSA-N
MW176.18 g/mol
LogP1.08
Rot. Bonds1

About 5-hydroxy-4-phenyl-1,2-dihydropyrazol-3-one

5-hydroxy-4-phenyl-1,2-dihydropyrazol-3-one (PubChem CID 15618616) has the molecular formula C9H8N2O2 and a molecular weight of 176.18 g/mol. Its IUPAC name is 5-hydroxy-4-phenyl-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name5-hydroxy-4-phenyl-1,2-dihydropyrazol-3-one
PubChem CID15618616
Molecular FormulaC9H8N2O2
Molecular Weight176.18 g/mol
Exact Mass176.06
IUPAC Name5-hydroxy-4-phenyl-1,2-dihydropyrazol-3-one
SMILESO=c1[nH][nH]c(O)c1-c1ccccc1
InChIInChI=1S/C9H8N2O2/c12-8-7(9(13)11-10-8)6-4-2-1-3-5-6/h1-5H,(H3,10,11,12,13)
InChIKeyAIZKTZJJFLVPQX-UHFFFAOYSA-N
XLogP1.08
TPSA68.88 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-4-phenyl-1,2-dihydropyrazol-3-one?
The IUPAC name of 5-hydroxy-4-phenyl-1,2-dihydropyrazol-3-one (CID 15618616) is 5-hydroxy-4-phenyl-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 5-hydroxy-4-phenyl-1,2-dihydropyrazol-3-one?
The canonical SMILES for 5-hydroxy-4-phenyl-1,2-dihydropyrazol-3-one is O=c1[nH][nH]c(O)c1-c1ccccc1.
What is the InChIKey of 5-hydroxy-4-phenyl-1,2-dihydropyrazol-3-one?
The InChIKey is AIZKTZJJFLVPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2/c12-8-7(9(13)11-10-8)6-4-2-1-3-5-6/h1-5H,(H3,10,11,12,13).
What are the key properties of 5-hydroxy-4-phenyl-1,2-dihydropyrazol-3-one?
5-hydroxy-4-phenyl-1,2-dihydropyrazol-3-one has a molecular weight of 176.18 g/mol, XLogP of 1.08, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-4-phenyl-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 15618616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).