1-ethyl-3-methylindazole-7-carbaldehyde

C11H12N2O — CID 84719161

IUPAC1-ethyl-3-methylindazole-7-carbaldehyde
SMILESCCn1nc(C)c2cccc(C=O)c21
InChIInChI=1S/C11H12N2O/c1-3-13-11-9(7-14)5-4-6-10(11)8(2)12-13/h4-7H,3H2,1-2H3
InChIKeyUWCZCGIFCIWMAQ-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.18
Rot. Bonds2

About 1-ethyl-3-methylindazole-7-carbaldehyde

1-ethyl-3-methylindazole-7-carbaldehyde (PubChem CID 84719161) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 1-ethyl-3-methylindazole-7-carbaldehyde.

Molecular Properties

Compound Name1-ethyl-3-methylindazole-7-carbaldehyde
PubChem CID84719161
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name1-ethyl-3-methylindazole-7-carbaldehyde
SMILESCCn1nc(C)c2cccc(C=O)c21
InChIInChI=1S/C11H12N2O/c1-3-13-11-9(7-14)5-4-6-10(11)8(2)12-13/h4-7H,3H2,1-2H3
InChIKeyUWCZCGIFCIWMAQ-UHFFFAOYSA-N
XLogP2.18
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 ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-3-methylindazol-7-ol
CID 84717792
1-ethyl-4-(2-formylphenyl)-3-methylpyrazole-5-carboxylic acid
CID 89326072
2-(2-ethyl-1,2,4-triazol-3-yl)benzaldehyde
CID 130529860
3-methylbenzimidazole-4-carbaldehyde
CID 82415600
5-methylimidazo[1,2-a]quinoline-9-carbaldehyde
CID 115026845
2-ethoxybenzene-1,3-dicarbaldehyde
CID 15757941
1-methyl-3-phenylindazole-7-carbaldehyde
CID 105497737
2-(1-ethyl-5-methylpyrazol-4-yl)benzaldehyde
CID 66099113
1-methylindole-3,7-dicarbaldehyde
CID 59731130
2,3-dimethylindazole-7-carbaldehyde
CID 84717517
3-methyl-2-[(1-pentan-3-ylpyrazol-3-yl)methoxy]benzaldehyde
CID 115955479
2-(7-bromo-3-methylindazol-1-yl)acetic acid
CID 84712293

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methylindazole-7-carbaldehyde?
The IUPAC name of 1-ethyl-3-methylindazole-7-carbaldehyde (CID 84719161) is 1-ethyl-3-methylindazole-7-carbaldehyde.
What is the SMILES notation for 1-ethyl-3-methylindazole-7-carbaldehyde?
The canonical SMILES for 1-ethyl-3-methylindazole-7-carbaldehyde is CCn1nc(C)c2cccc(C=O)c21.
What is the InChIKey of 1-ethyl-3-methylindazole-7-carbaldehyde?
The InChIKey is UWCZCGIFCIWMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-3-13-11-9(7-14)5-4-6-10(11)8(2)12-13/h4-7H,3H2,1-2H3.
What are the key properties of 1-ethyl-3-methylindazole-7-carbaldehyde?
1-ethyl-3-methylindazole-7-carbaldehyde has a molecular weight of 188.23 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methylindazole-7-carbaldehyde is sourced from PubChem (CID 84719161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).