2-propan-2-ylindazole-3-carbaldehyde

C11H12N2O — CID 96625601

IUPAC2-propan-2-ylindazole-3-carbaldehyde
SMILESCC(C)n1nc2ccccc2c1C=O
InChIInChI=1S/C11H12N2O/c1-8(2)13-11(7-14)9-5-3-4-6-10(9)12-13/h3-8H,1-2H3
InChIKeyRZUKLZNMHGWMQD-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.43
Rot. Bonds2

About 2-propan-2-ylindazole-3-carbaldehyde

2-propan-2-ylindazole-3-carbaldehyde (PubChem CID 96625601) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-propan-2-ylindazole-3-carbaldehyde.

Molecular Properties

Compound Name2-propan-2-ylindazole-3-carbaldehyde
PubChem CID96625601
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name2-propan-2-ylindazole-3-carbaldehyde
SMILESCC(C)n1nc2ccccc2c1C=O
InChIInChI=1S/C11H12N2O/c1-8(2)13-11(7-14)9-5-3-4-6-10(9)12-13/h3-8H,1-2H3
InChIKeyRZUKLZNMHGWMQD-UHFFFAOYSA-N
XLogP2.43
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-propan-2-ylindazole-3-carbaldehyde 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 2-propan-2-ylindazole-3-carbaldehyde?
The IUPAC name of 2-propan-2-ylindazole-3-carbaldehyde (CID 96625601) is 2-propan-2-ylindazole-3-carbaldehyde.
What is the SMILES notation for 2-propan-2-ylindazole-3-carbaldehyde?
The canonical SMILES for 2-propan-2-ylindazole-3-carbaldehyde is CC(C)n1nc2ccccc2c1C=O.
What is the InChIKey of 2-propan-2-ylindazole-3-carbaldehyde?
The InChIKey is RZUKLZNMHGWMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-8(2)13-11(7-14)9-5-3-4-6-10(9)12-13/h3-8H,1-2H3.
What are the key properties of 2-propan-2-ylindazole-3-carbaldehyde?
2-propan-2-ylindazole-3-carbaldehyde has a molecular weight of 188.23 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylindazole-3-carbaldehyde is sourced from PubChem (CID 96625601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).