2-methyl-3-(2-methylpropyl)indazole-7-carbaldehyde

C13H16N2O — CID 105469976

IUPAC2-methyl-3-(2-methylpropyl)indazole-7-carbaldehyde
SMILESCC(C)Cc1c2cccc(C=O)c2nn1C
InChIInChI=1S/C13H16N2O/c1-9(2)7-12-11-6-4-5-10(8-16)13(11)14-15(12)3/h4-6,8-9H,7H2,1-3H3
InChIKeyPYRJHXKLHBFEDF-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.58
Rot. Bonds3

About 2-methyl-3-(2-methylpropyl)indazole-7-carbaldehyde

2-methyl-3-(2-methylpropyl)indazole-7-carbaldehyde (PubChem CID 105469976) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-methyl-3-(2-methylpropyl)indazole-7-carbaldehyde.

Molecular Properties

Compound Name2-methyl-3-(2-methylpropyl)indazole-7-carbaldehyde
PubChem CID105469976
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name2-methyl-3-(2-methylpropyl)indazole-7-carbaldehyde
SMILESCC(C)Cc1c2cccc(C=O)c2nn1C
InChIInChI=1S/C13H16N2O/c1-9(2)7-12-11-6-4-5-10(8-16)13(11)14-15(12)3/h4-6,8-9H,7H2,1-3H3
InChIKeyPYRJHXKLHBFEDF-UHFFFAOYSA-N
XLogP2.58
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.58
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

2,3-dimethylindazole-7-carbaldehyde
CID 84717517
3-bromo-2-methylindazole-7-carbaldehyde
CID 84727881
5-(2-methylpropyl)-1-naphthalen-1-yltriazole-4-carbaldehyde
CID 82199745
1-methyl-3-phenylindazole-7-carbaldehyde
CID 105497737
1-methyl-3-propan-2-ylindazole-4-carbaldehyde
CID 91549943
3-ethyl-2-methylindazol-7-amine
CID 105436213
2-(7-fluoro-2-methylindazol-3-yl)acetic acid
CID 84722582
2-methyl-3-propan-2-ylindazol-7-ol
CID 105444295
3-(2-methylpropyl)-2-pentoxybenzaldehyde
CID 174897838
2-(2-methylpropyl)-3-oxo-1H-indazole-7-carbaldehyde
CID 105472389
1-ethyl-3-methylindazole-7-carbaldehyde
CID 84719161
2,3-dimethylindazole-4-carbaldehyde
CID 84717514

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-methylpropyl)indazole-7-carbaldehyde?
The IUPAC name of 2-methyl-3-(2-methylpropyl)indazole-7-carbaldehyde (CID 105469976) is 2-methyl-3-(2-methylpropyl)indazole-7-carbaldehyde.
What is the SMILES notation for 2-methyl-3-(2-methylpropyl)indazole-7-carbaldehyde?
The canonical SMILES for 2-methyl-3-(2-methylpropyl)indazole-7-carbaldehyde is CC(C)Cc1c2cccc(C=O)c2nn1C.
What is the InChIKey of 2-methyl-3-(2-methylpropyl)indazole-7-carbaldehyde?
The InChIKey is PYRJHXKLHBFEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-9(2)7-12-11-6-4-5-10(8-16)13(11)14-15(12)3/h4-6,8-9H,7H2,1-3H3.
What are the key properties of 2-methyl-3-(2-methylpropyl)indazole-7-carbaldehyde?
2-methyl-3-(2-methylpropyl)indazole-7-carbaldehyde has a molecular weight of 216.28 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-methylpropyl)indazole-7-carbaldehyde is sourced from PubChem (CID 105469976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).