3,7-dimethyl-2H-indazole-4-carbaldehyde

C10H10N2O — CID 118992183

IUPAC3,7-dimethyl-2H-indazole-4-carbaldehyde
SMILESCc1ccc(C=O)c2c(C)[nH]nc12
InChIInChI=1S/C10H10N2O/c1-6-3-4-8(5-13)9-7(2)11-12-10(6)9/h3-5H,1-2H3,(H,11,12)
InChIKeyDLHBPQBYPFSVST-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.99
Rot. Bonds1

About 3,7-dimethyl-2H-indazole-4-carbaldehyde

3,7-dimethyl-2H-indazole-4-carbaldehyde (PubChem CID 118992183) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 3,7-dimethyl-2H-indazole-4-carbaldehyde.

Molecular Properties

Compound Name3,7-dimethyl-2H-indazole-4-carbaldehyde
PubChem CID118992183
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name3,7-dimethyl-2H-indazole-4-carbaldehyde
SMILESCc1ccc(C=O)c2c(C)[nH]nc12
InChIInChI=1S/C10H10N2O/c1-6-3-4-8(5-13)9-7(2)11-12-10(6)9/h3-5H,1-2H3,(H,11,12)
InChIKeyDLHBPQBYPFSVST-UHFFFAOYSA-N
XLogP1.99
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-7-methyl-2H-indazole-3-carbaldehyde
CID 24729302
N-(4-fluoro-3-methyl-2H-indazol-5-yl)formamide
CID 169168502
3,5-dimethyl-2H-indazole-7-carbaldehyde
CID 117109603
methyl 3-formyl-7-methyl-2H-indazole-4-carboxylate
CID 74890533
4,7-difluoro-3-methyl-2H-indazole
CID 70307019
7-fluoro-3,6-dimethyl-2H-indazole
CID 167575971
4-fluoro-7-methyl-3-propan-2-yl-2H-indazole
CID 118119319
4-chloro-3-iodo-7-methyl-2H-indazole
CID 171662341
4-bromo-3-methyl-2H-indazole-6-carbaldehyde
CID 117109587
4-bromo-7-fluoro-3-methyl-2H-indazole
CID 118989920
8-methyl-2,3-dihydro-1,4-benzodioxine-5-carbaldehyde
CID 105437322
3-chloro-2-fluoro-4-methylbenzaldehyde
CID 118990191

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-2H-indazole-4-carbaldehyde?
The IUPAC name of 3,7-dimethyl-2H-indazole-4-carbaldehyde (CID 118992183) is 3,7-dimethyl-2H-indazole-4-carbaldehyde.
What is the SMILES notation for 3,7-dimethyl-2H-indazole-4-carbaldehyde?
The canonical SMILES for 3,7-dimethyl-2H-indazole-4-carbaldehyde is Cc1ccc(C=O)c2c(C)[nH]nc12.
What is the InChIKey of 3,7-dimethyl-2H-indazole-4-carbaldehyde?
The InChIKey is DLHBPQBYPFSVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c1-6-3-4-8(5-13)9-7(2)11-12-10(6)9/h3-5H,1-2H3,(H,11,12).
What are the key properties of 3,7-dimethyl-2H-indazole-4-carbaldehyde?
3,7-dimethyl-2H-indazole-4-carbaldehyde has a molecular weight of 174.20 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-2H-indazole-4-carbaldehyde is sourced from PubChem (CID 118992183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).