5-oxo-2-phenyl-1H-pyrazole-4-carboxylic acid

C10H8N2O3 — CID 10465499

IUPAC5-oxo-2-phenyl-1H-pyrazole-4-carboxylic acid
SMILESO=C(O)c1cn(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C10H8N2O3/c13-9-8(10(14)15)6-12(11-9)7-4-2-1-3-5-7/h1-6H,(H,11,13)(H,14,15)
InChIKeyOXAOVSVRFLXCBS-UHFFFAOYSA-N
MW204.19 g/mol
LogP0.86
Rot. Bonds2

About 5-oxo-2-phenyl-1H-pyrazole-4-carboxylic acid

5-oxo-2-phenyl-1H-pyrazole-4-carboxylic acid (PubChem CID 10465499) has the molecular formula C10H8N2O3 and a molecular weight of 204.19 g/mol. Its IUPAC name is 5-oxo-2-phenyl-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-oxo-2-phenyl-1H-pyrazole-4-carboxylic acid
PubChem CID10465499
Molecular FormulaC10H8N2O3
Molecular Weight204.19 g/mol
Exact Mass204.05
IUPAC Name5-oxo-2-phenyl-1H-pyrazole-4-carboxylic acid
SMILESO=C(O)c1cn(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C10H8N2O3/c13-9-8(10(14)15)6-12(11-9)7-4-2-1-3-5-7/h1-6H,(H,11,13)(H,14,15)
InChIKeyOXAOVSVRFLXCBS-UHFFFAOYSA-N
XLogP0.86
TPSA75.09 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 ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

CID 246564
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CID 223722
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CID 14840399
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CID 12485380
CID 12485380
CID 730248
CID 730248
CID 205107
CID 205107
CID 155522278
CID 155522278
CID 155539527
CID 155539527
CID 4962220
CID 4962220
CID 2384841
CID 2384841
CID 22228038
CID 22228038
CID 51893559
CID 51893559

Frequently Asked Questions

What is the IUPAC name of 5-oxo-2-phenyl-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-oxo-2-phenyl-1H-pyrazole-4-carboxylic acid (CID 10465499) is 5-oxo-2-phenyl-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-oxo-2-phenyl-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-oxo-2-phenyl-1H-pyrazole-4-carboxylic acid is O=C(O)c1cn(-c2ccccc2)[nH]c1=O.
What is the InChIKey of 5-oxo-2-phenyl-1H-pyrazole-4-carboxylic acid?
The InChIKey is OXAOVSVRFLXCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3/c13-9-8(10(14)15)6-12(11-9)7-4-2-1-3-5-7/h1-6H,(H,11,13)(H,14,15).
What are the key properties of 5-oxo-2-phenyl-1H-pyrazole-4-carboxylic acid?
5-oxo-2-phenyl-1H-pyrazole-4-carboxylic acid has a molecular weight of 204.19 g/mol, XLogP of 0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-2-phenyl-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 10465499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).