5-amino-1,3-dimethylpyrazole-4-carbaldehyde

C6H9N3O — CID 15618873

IUPAC5-amino-1,3-dimethylpyrazole-4-carbaldehyde
SMILESCc1nn(C)c(N)c1C=O
InChIInChI=1S/C6H9N3O/c1-4-5(3-10)6(7)9(2)8-4/h3H,7H2,1-2H3
InChIKeyLMWISGVUHHTGQH-UHFFFAOYSA-N
MW139.16 g/mol
LogP0.12
Rot. Bonds1

About 5-amino-1,3-dimethylpyrazole-4-carbaldehyde

5-amino-1,3-dimethylpyrazole-4-carbaldehyde (PubChem CID 15618873) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 5-amino-1,3-dimethylpyrazole-4-carbaldehyde.

Molecular Properties

Compound Name5-amino-1,3-dimethylpyrazole-4-carbaldehyde
PubChem CID15618873
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name5-amino-1,3-dimethylpyrazole-4-carbaldehyde
SMILESCc1nn(C)c(N)c1C=O
InChIInChI=1S/C6H9N3O/c1-4-5(3-10)6(7)9(2)8-4/h3H,7H2,1-2H3
InChIKeyLMWISGVUHHTGQH-UHFFFAOYSA-N
XLogP0.12
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1,3-dimethylpyrazole-4-carbaldehyde?
The IUPAC name of 5-amino-1,3-dimethylpyrazole-4-carbaldehyde (CID 15618873) is 5-amino-1,3-dimethylpyrazole-4-carbaldehyde.
What is the SMILES notation for 5-amino-1,3-dimethylpyrazole-4-carbaldehyde?
The canonical SMILES for 5-amino-1,3-dimethylpyrazole-4-carbaldehyde is Cc1nn(C)c(N)c1C=O.
What is the InChIKey of 5-amino-1,3-dimethylpyrazole-4-carbaldehyde?
The InChIKey is LMWISGVUHHTGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c1-4-5(3-10)6(7)9(2)8-4/h3H,7H2,1-2H3.
What are the key properties of 5-amino-1,3-dimethylpyrazole-4-carbaldehyde?
5-amino-1,3-dimethylpyrazole-4-carbaldehyde has a molecular weight of 139.16 g/mol, XLogP of 0.12, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1,3-dimethylpyrazole-4-carbaldehyde is sourced from PubChem (CID 15618873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).