4-hydroxy-3-(5-methylpyrazol-1-yl)benzaldehyde

C11H10N2O2 — CID 71743905

IUPAC4-hydroxy-3-(5-methylpyrazol-1-yl)benzaldehyde
SMILESCc1ccnn1-c1cc(C=O)ccc1O
InChIInChI=1S/C11H10N2O2/c1-8-4-5-12-13(8)10-6-9(7-14)2-3-11(10)15/h2-7,15H,1H3
InChIKeyZYQPGXWYROVFFD-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.70
Rot. Bonds2

About 4-hydroxy-3-(5-methylpyrazol-1-yl)benzaldehyde

4-hydroxy-3-(5-methylpyrazol-1-yl)benzaldehyde (PubChem CID 71743905) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 4-hydroxy-3-(5-methylpyrazol-1-yl)benzaldehyde.

Molecular Properties

Compound Name4-hydroxy-3-(5-methylpyrazol-1-yl)benzaldehyde
PubChem CID71743905
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name4-hydroxy-3-(5-methylpyrazol-1-yl)benzaldehyde
SMILESCc1ccnn1-c1cc(C=O)ccc1O
InChIInChI=1S/C11H10N2O2/c1-8-4-5-12-13(8)10-6-9(7-14)2-3-11(10)15/h2-7,15H,1H3
InChIKeyZYQPGXWYROVFFD-UHFFFAOYSA-N
XLogP1.70
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.70
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-3-(5-methylpyrazol-1-yl)benzaldehyde?
The IUPAC name of 4-hydroxy-3-(5-methylpyrazol-1-yl)benzaldehyde (CID 71743905) is 4-hydroxy-3-(5-methylpyrazol-1-yl)benzaldehyde.
What is the SMILES notation for 4-hydroxy-3-(5-methylpyrazol-1-yl)benzaldehyde?
The canonical SMILES for 4-hydroxy-3-(5-methylpyrazol-1-yl)benzaldehyde is Cc1ccnn1-c1cc(C=O)ccc1O.
What is the InChIKey of 4-hydroxy-3-(5-methylpyrazol-1-yl)benzaldehyde?
The InChIKey is ZYQPGXWYROVFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c1-8-4-5-12-13(8)10-6-9(7-14)2-3-11(10)15/h2-7,15H,1H3.
What are the key properties of 4-hydroxy-3-(5-methylpyrazol-1-yl)benzaldehyde?
4-hydroxy-3-(5-methylpyrazol-1-yl)benzaldehyde has a molecular weight of 202.21 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-(5-methylpyrazol-1-yl)benzaldehyde is sourced from PubChem (CID 71743905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).