3-ethyl-2H-indazole-4-carbaldehyde

C10H10N2O — CID 105435762

IUPAC3-ethyl-2H-indazole-4-carbaldehyde
SMILESCCc1[nH]nc2cccc(C=O)c12
InChIInChI=1S/C10H10N2O/c1-2-8-10-7(6-13)4-3-5-9(10)12-11-8/h3-6H,2H2,1H3,(H,11,12)
InChIKeyCFTSCWZRAYCQME-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.94
Rot. Bonds2

About 3-ethyl-2H-indazole-4-carbaldehyde

3-ethyl-2H-indazole-4-carbaldehyde (PubChem CID 105435762) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 3-ethyl-2H-indazole-4-carbaldehyde.

Molecular Properties

Compound Name3-ethyl-2H-indazole-4-carbaldehyde
PubChem CID105435762
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name3-ethyl-2H-indazole-4-carbaldehyde
SMILESCCc1[nH]nc2cccc(C=O)c12
InChIInChI=1S/C10H10N2O/c1-2-8-10-7(6-13)4-3-5-9(10)12-11-8/h3-6H,2H2,1H3,(H,11,12)
InChIKeyCFTSCWZRAYCQME-UHFFFAOYSA-N
XLogP1.94
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2H-indazole-4-carbaldehyde?
The IUPAC name of 3-ethyl-2H-indazole-4-carbaldehyde (CID 105435762) is 3-ethyl-2H-indazole-4-carbaldehyde.
What is the SMILES notation for 3-ethyl-2H-indazole-4-carbaldehyde?
The canonical SMILES for 3-ethyl-2H-indazole-4-carbaldehyde is CCc1[nH]nc2cccc(C=O)c12.
What is the InChIKey of 3-ethyl-2H-indazole-4-carbaldehyde?
The InChIKey is CFTSCWZRAYCQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c1-2-8-10-7(6-13)4-3-5-9(10)12-11-8/h3-6H,2H2,1H3,(H,11,12).
What are the key properties of 3-ethyl-2H-indazole-4-carbaldehyde?
3-ethyl-2H-indazole-4-carbaldehyde has a molecular weight of 174.20 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2H-indazole-4-carbaldehyde is sourced from PubChem (CID 105435762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).