5H-indazole-4-carbaldehyde

C8H6N2O — CID 175049655

IUPAC5H-indazole-4-carbaldehyde
SMILESO=CC1=C2C=NN=C2C=CC1
InChIInChI=1S/C8H6N2O/c11-5-6-2-1-3-8-7(6)4-9-10-8/h1,3-5H,2H2
InChIKeyWCJWSDJTLOMZRE-UHFFFAOYSA-N
MW146.15 g/mol
LogP0.88
Rot. Bonds1

About 5H-indazole-4-carbaldehyde

5H-indazole-4-carbaldehyde (PubChem CID 175049655) has the molecular formula C8H6N2O and a molecular weight of 146.15 g/mol. Its IUPAC name is 5H-indazole-4-carbaldehyde.

Molecular Properties

Compound Name5H-indazole-4-carbaldehyde
PubChem CID175049655
Molecular FormulaC8H6N2O
Molecular Weight146.15 g/mol
Exact Mass146.05
IUPAC Name5H-indazole-4-carbaldehyde
SMILESO=CC1=C2C=NN=C2C=CC1
InChIInChI=1S/C8H6N2O/c11-5-6-2-1-3-8-7(6)4-9-10-8/h1,3-5H,2H2
InChIKeyWCJWSDJTLOMZRE-UHFFFAOYSA-N
XLogP0.88
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5H-indazole-4-carbaldehyde?
The IUPAC name of 5H-indazole-4-carbaldehyde (CID 175049655) is 5H-indazole-4-carbaldehyde.
What is the SMILES notation for 5H-indazole-4-carbaldehyde?
The canonical SMILES for 5H-indazole-4-carbaldehyde is O=CC1=C2C=NN=C2C=CC1.
What is the InChIKey of 5H-indazole-4-carbaldehyde?
The InChIKey is WCJWSDJTLOMZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O/c11-5-6-2-1-3-8-7(6)4-9-10-8/h1,3-5H,2H2.
What are the key properties of 5H-indazole-4-carbaldehyde?
5H-indazole-4-carbaldehyde has a molecular weight of 146.15 g/mol, XLogP of 0.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5H-indazole-4-carbaldehyde is sourced from PubChem (CID 175049655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).