4-(1H-pyrazol-4-yloxy)benzaldehyde

C10H8N2O2 — CID 115017445

IUPAC4-(1H-pyrazol-4-yloxy)benzaldehyde
SMILESO=Cc1ccc(Oc2cn[nH]c2)cc1
InChIInChI=1S/C10H8N2O2/c13-7-8-1-3-9(4-2-8)14-10-5-11-12-6-10/h1-7H,(H,11,12)
InChIKeyVIPCYIIPRWUDSK-UHFFFAOYSA-N
MW188.19 g/mol
LogP2.01
Rot. Bonds3

About 4-(1H-pyrazol-4-yloxy)benzaldehyde

4-(1H-pyrazol-4-yloxy)benzaldehyde (PubChem CID 115017445) has the molecular formula C10H8N2O2 and a molecular weight of 188.19 g/mol. Its IUPAC name is 4-(1H-pyrazol-4-yloxy)benzaldehyde.

Molecular Properties

Compound Name4-(1H-pyrazol-4-yloxy)benzaldehyde
PubChem CID115017445
Molecular FormulaC10H8N2O2
Molecular Weight188.19 g/mol
Exact Mass188.06
IUPAC Name4-(1H-pyrazol-4-yloxy)benzaldehyde
SMILESO=Cc1ccc(Oc2cn[nH]c2)cc1
InChIInChI=1S/C10H8N2O2/c13-7-8-1-3-9(4-2-8)14-10-5-11-12-6-10/h1-7H,(H,11,12)
InChIKeyVIPCYIIPRWUDSK-UHFFFAOYSA-N
XLogP2.01
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(1H-pyrazol-4-yloxy)benzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(1H-pyrazol-4-yloxy)benzaldehyde?
The IUPAC name of 4-(1H-pyrazol-4-yloxy)benzaldehyde (CID 115017445) is 4-(1H-pyrazol-4-yloxy)benzaldehyde.
What is the SMILES notation for 4-(1H-pyrazol-4-yloxy)benzaldehyde?
The canonical SMILES for 4-(1H-pyrazol-4-yloxy)benzaldehyde is O=Cc1ccc(Oc2cn[nH]c2)cc1.
What is the InChIKey of 4-(1H-pyrazol-4-yloxy)benzaldehyde?
The InChIKey is VIPCYIIPRWUDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2/c13-7-8-1-3-9(4-2-8)14-10-5-11-12-6-10/h1-7H,(H,11,12).
What are the key properties of 4-(1H-pyrazol-4-yloxy)benzaldehyde?
4-(1H-pyrazol-4-yloxy)benzaldehyde has a molecular weight of 188.19 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-pyrazol-4-yloxy)benzaldehyde is sourced from PubChem (CID 115017445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).