3-ethyl-2-methylindazole-5-carbaldehyde

C11H12N2O — CID 105443073

IUPAC3-ethyl-2-methylindazole-5-carbaldehyde
SMILESCCc1c2cc(C=O)ccc2nn1C
InChIInChI=1S/C11H12N2O/c1-3-11-9-6-8(7-14)4-5-10(9)12-13(11)2/h4-7H,3H2,1-2H3
InChIKeyGJKTVMOVNQMCER-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.95
Rot. Bonds2

About 3-ethyl-2-methylindazole-5-carbaldehyde

3-ethyl-2-methylindazole-5-carbaldehyde (PubChem CID 105443073) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 3-ethyl-2-methylindazole-5-carbaldehyde.

Molecular Properties

Compound Name3-ethyl-2-methylindazole-5-carbaldehyde
PubChem CID105443073
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name3-ethyl-2-methylindazole-5-carbaldehyde
SMILESCCc1c2cc(C=O)ccc2nn1C
InChIInChI=1S/C11H12N2O/c1-3-11-9-6-8(7-14)4-5-10(9)12-13(11)2/h4-7H,3H2,1-2H3
InChIKeyGJKTVMOVNQMCER-UHFFFAOYSA-N
XLogP1.95
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 ≤ 51.95
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

3-ethyl-2-methyl-6-(trifluoromethyl)indazole
CID 59514322
2-ethylindazole-5-carbaldehyde
CID 84717515
4-(dimethylamino)quinazoline-6-carbaldehyde
CID 57469643
9-dodecylcarbazole-3,6-dicarbaldehyde
CID 22559825
3-iodo-1-methylindole-5-carbaldehyde
CID 124908219
2-propyl-3H-benzimidazole-5-carbaldehyde
CID 45077925
4-[ethyl(dimethyl)silyl]benzaldehyde
CID 15040761
2-propylterephthalaldehyde
CID 134537626
3-(2-methoxyethyl)benzimidazole-5-carbaldehyde
CID 58748120
4-(4-methylpiperazin-1-yl)quinazoline-6-carbaldehyde
CID 57469649
9-tert-butylcarbazole-3,6-dicarbaldehyde
CID 140847857
2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,10,13,15,17(22),18,20-undecaene-6,20-dicarbaldehyde
CID 15440148

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-methylindazole-5-carbaldehyde?
The IUPAC name of 3-ethyl-2-methylindazole-5-carbaldehyde (CID 105443073) is 3-ethyl-2-methylindazole-5-carbaldehyde.
What is the SMILES notation for 3-ethyl-2-methylindazole-5-carbaldehyde?
The canonical SMILES for 3-ethyl-2-methylindazole-5-carbaldehyde is CCc1c2cc(C=O)ccc2nn1C.
What is the InChIKey of 3-ethyl-2-methylindazole-5-carbaldehyde?
The InChIKey is GJKTVMOVNQMCER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-3-11-9-6-8(7-14)4-5-10(9)12-13(11)2/h4-7H,3H2,1-2H3.
What are the key properties of 3-ethyl-2-methylindazole-5-carbaldehyde?
3-ethyl-2-methylindazole-5-carbaldehyde has a molecular weight of 188.23 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methylindazole-5-carbaldehyde is sourced from PubChem (CID 105443073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).