4-hydroxy-1-phenylpyrazole-3-carbaldehyde

C10H8N2O2 — CID 569066

IUPAC4-hydroxy-1-phenylpyrazole-3-carbaldehyde
SMILESO=Cc1nn(-c2ccccc2)cc1O
InChIInChI=1S/C10H8N2O2/c13-7-9-10(14)6-12(11-9)8-4-2-1-3-5-8/h1-7,14H
InChIKeyCNUDNCMTEIDBFT-UHFFFAOYSA-N
MW188.19 g/mol
LogP1.39
Rot. Bonds2

About 4-hydroxy-1-phenylpyrazole-3-carbaldehyde

4-hydroxy-1-phenylpyrazole-3-carbaldehyde (PubChem CID 569066) has the molecular formula C10H8N2O2 and a molecular weight of 188.19 g/mol. Its IUPAC name is 4-hydroxy-1-phenylpyrazole-3-carbaldehyde.

Molecular Properties

Compound Name4-hydroxy-1-phenylpyrazole-3-carbaldehyde
PubChem CID569066
Molecular FormulaC10H8N2O2
Molecular Weight188.19 g/mol
Exact Mass188.06
IUPAC Name4-hydroxy-1-phenylpyrazole-3-carbaldehyde
SMILESO=Cc1nn(-c2ccccc2)cc1O
InChIInChI=1S/C10H8N2O2/c13-7-9-10(14)6-12(11-9)8-4-2-1-3-5-8/h1-7,14H
InChIKeyCNUDNCMTEIDBFT-UHFFFAOYSA-N
XLogP1.39
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-phenylpyrazole-3-carbaldehyde?
The IUPAC name of 4-hydroxy-1-phenylpyrazole-3-carbaldehyde (CID 569066) is 4-hydroxy-1-phenylpyrazole-3-carbaldehyde.
What is the SMILES notation for 4-hydroxy-1-phenylpyrazole-3-carbaldehyde?
The canonical SMILES for 4-hydroxy-1-phenylpyrazole-3-carbaldehyde is O=Cc1nn(-c2ccccc2)cc1O.
What is the InChIKey of 4-hydroxy-1-phenylpyrazole-3-carbaldehyde?
The InChIKey is CNUDNCMTEIDBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2/c13-7-9-10(14)6-12(11-9)8-4-2-1-3-5-8/h1-7,14H.
What are the key properties of 4-hydroxy-1-phenylpyrazole-3-carbaldehyde?
4-hydroxy-1-phenylpyrazole-3-carbaldehyde has a molecular weight of 188.19 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-phenylpyrazole-3-carbaldehyde is sourced from PubChem (CID 569066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).