5-oxo-4-phenyl-1,4-dihydropyrazole-3-carboxylic acid

C10H8N2O3 — CID 23008723

IUPAC5-oxo-4-phenyl-1,4-dihydropyrazole-3-carboxylic acid
SMILESO=C(O)C1=NNC(=O)C1c1ccccc1
InChIInChI=1S/C10H8N2O3/c13-9-7(6-4-2-1-3-5-6)8(10(14)15)11-12-9/h1-5,7H,(H,12,13)(H,14,15)
InChIKeyGPBFDQSZZHMUQB-UHFFFAOYSA-N
MW204.19 g/mol
LogP0.34
Rot. Bonds2

About 5-oxo-4-phenyl-1,4-dihydropyrazole-3-carboxylic acid

5-oxo-4-phenyl-1,4-dihydropyrazole-3-carboxylic acid (PubChem CID 23008723) has the molecular formula C10H8N2O3 and a molecular weight of 204.19 g/mol. Its IUPAC name is 5-oxo-4-phenyl-1,4-dihydropyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-oxo-4-phenyl-1,4-dihydropyrazole-3-carboxylic acid
PubChem CID23008723
Molecular FormulaC10H8N2O3
Molecular Weight204.19 g/mol
Exact Mass204.05
IUPAC Name5-oxo-4-phenyl-1,4-dihydropyrazole-3-carboxylic acid
SMILESO=C(O)C1=NNC(=O)C1c1ccccc1
InChIInChI=1S/C10H8N2O3/c13-9-7(6-4-2-1-3-5-6)8(10(14)15)11-12-9/h1-5,7H,(H,12,13)(H,14,15)
InChIKeyGPBFDQSZZHMUQB-UHFFFAOYSA-N
XLogP0.34
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-4-phenyl-1,4-dihydropyrazole-3-carboxylic acid?
The IUPAC name of 5-oxo-4-phenyl-1,4-dihydropyrazole-3-carboxylic acid (CID 23008723) is 5-oxo-4-phenyl-1,4-dihydropyrazole-3-carboxylic acid.
What is the SMILES notation for 5-oxo-4-phenyl-1,4-dihydropyrazole-3-carboxylic acid?
The canonical SMILES for 5-oxo-4-phenyl-1,4-dihydropyrazole-3-carboxylic acid is O=C(O)C1=NNC(=O)C1c1ccccc1.
What is the InChIKey of 5-oxo-4-phenyl-1,4-dihydropyrazole-3-carboxylic acid?
The InChIKey is GPBFDQSZZHMUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3/c13-9-7(6-4-2-1-3-5-6)8(10(14)15)11-12-9/h1-5,7H,(H,12,13)(H,14,15).
What are the key properties of 5-oxo-4-phenyl-1,4-dihydropyrazole-3-carboxylic acid?
5-oxo-4-phenyl-1,4-dihydropyrazole-3-carboxylic acid has a molecular weight of 204.19 g/mol, XLogP of 0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-4-phenyl-1,4-dihydropyrazole-3-carboxylic acid is sourced from PubChem (CID 23008723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).