5-phenylpyrazole-1-carboxylic acid

C10H8N2O2 — CID 175297488

IUPAC5-phenylpyrazole-1-carboxylic acid
SMILESO=C(O)n1nccc1-c1ccccc1
InChIInChI=1S/C10H8N2O2/c13-10(14)12-9(6-7-11-12)8-4-2-1-3-5-8/h1-7H,(H,13,14)
InChIKeyVHDYIDDAWRFOCX-UHFFFAOYSA-N
MW188.19 g/mol
LogP2.08
Rot. Bonds1

About 5-phenylpyrazole-1-carboxylic acid

5-phenylpyrazole-1-carboxylic acid (PubChem CID 175297488) has the molecular formula C10H8N2O2 and a molecular weight of 188.19 g/mol. Its IUPAC name is 5-phenylpyrazole-1-carboxylic acid.

Molecular Properties

Compound Name5-phenylpyrazole-1-carboxylic acid
PubChem CID175297488
Molecular FormulaC10H8N2O2
Molecular Weight188.19 g/mol
Exact Mass188.06
IUPAC Name5-phenylpyrazole-1-carboxylic acid
SMILESO=C(O)n1nccc1-c1ccccc1
InChIInChI=1S/C10H8N2O2/c13-10(14)12-9(6-7-11-12)8-4-2-1-3-5-8/h1-7H,(H,13,14)
InChIKeyVHDYIDDAWRFOCX-UHFFFAOYSA-N
XLogP2.08
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-phenylpyrazole-1-carboxylic acid?
The IUPAC name of 5-phenylpyrazole-1-carboxylic acid (CID 175297488) is 5-phenylpyrazole-1-carboxylic acid.
What is the SMILES notation for 5-phenylpyrazole-1-carboxylic acid?
The canonical SMILES for 5-phenylpyrazole-1-carboxylic acid is O=C(O)n1nccc1-c1ccccc1.
What is the InChIKey of 5-phenylpyrazole-1-carboxylic acid?
The InChIKey is VHDYIDDAWRFOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2/c13-10(14)12-9(6-7-11-12)8-4-2-1-3-5-8/h1-7H,(H,13,14).
What are the key properties of 5-phenylpyrazole-1-carboxylic acid?
5-phenylpyrazole-1-carboxylic acid has a molecular weight of 188.19 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylpyrazole-1-carboxylic acid is sourced from PubChem (CID 175297488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).