3,5-dimethyl-2H-indazole-7-carbaldehyde

C10H10N2O — CID 117109603

IUPAC3,5-dimethyl-2H-indazole-7-carbaldehyde
SMILESCc1cc(C=O)c2n[nH]c(C)c2c1
InChIInChI=1S/C10H10N2O/c1-6-3-8(5-13)10-9(4-6)7(2)11-12-10/h3-5H,1-2H3,(H,11,12)
InChIKeyVMNPYRCICFNWCP-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.99
Rot. Bonds1

About 3,5-dimethyl-2H-indazole-7-carbaldehyde

3,5-dimethyl-2H-indazole-7-carbaldehyde (PubChem CID 117109603) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 3,5-dimethyl-2H-indazole-7-carbaldehyde.

Molecular Properties

Compound Name3,5-dimethyl-2H-indazole-7-carbaldehyde
PubChem CID117109603
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name3,5-dimethyl-2H-indazole-7-carbaldehyde
SMILESCc1cc(C=O)c2n[nH]c(C)c2c1
InChIInChI=1S/C10H10N2O/c1-6-3-8(5-13)10-9(4-6)7(2)11-12-10/h3-5H,1-2H3,(H,11,12)
InChIKeyVMNPYRCICFNWCP-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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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2H-indazole-7-carbaldehyde?
The IUPAC name of 3,5-dimethyl-2H-indazole-7-carbaldehyde (CID 117109603) is 3,5-dimethyl-2H-indazole-7-carbaldehyde.
What is the SMILES notation for 3,5-dimethyl-2H-indazole-7-carbaldehyde?
The canonical SMILES for 3,5-dimethyl-2H-indazole-7-carbaldehyde is Cc1cc(C=O)c2n[nH]c(C)c2c1.
What is the InChIKey of 3,5-dimethyl-2H-indazole-7-carbaldehyde?
The InChIKey is VMNPYRCICFNWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c1-6-3-8(5-13)10-9(4-6)7(2)11-12-10/h3-5H,1-2H3,(H,11,12).
What are the key properties of 3,5-dimethyl-2H-indazole-7-carbaldehyde?
3,5-dimethyl-2H-indazole-7-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 3,5-dimethyl-2H-indazole-7-carbaldehyde is sourced from PubChem (CID 117109603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).