4-amino-1-methylpyrazole-5-carbaldehyde

C5H7N3O — CID 83383376

IUPAC4-amino-1-methylpyrazole-5-carbaldehyde
SMILESCn1ncc(N)c1C=O
InChIInChI=1S/C5H7N3O/c1-8-5(3-9)4(6)2-7-8/h2-3H,6H2,1H3
InChIKeyBIVUKBSNEBPJFI-UHFFFAOYSA-N
MW125.13 g/mol
LogP-0.19
Rot. Bonds1

About 4-amino-1-methylpyrazole-5-carbaldehyde

4-amino-1-methylpyrazole-5-carbaldehyde (PubChem CID 83383376) has the molecular formula C5H7N3O and a molecular weight of 125.13 g/mol. Its IUPAC name is 4-amino-1-methylpyrazole-5-carbaldehyde.

Molecular Properties

Compound Name4-amino-1-methylpyrazole-5-carbaldehyde
PubChem CID83383376
Molecular FormulaC5H7N3O
Molecular Weight125.13 g/mol
Exact Mass125.06
IUPAC Name4-amino-1-methylpyrazole-5-carbaldehyde
SMILESCn1ncc(N)c1C=O
InChIInChI=1S/C5H7N3O/c1-8-5(3-9)4(6)2-7-8/h2-3H,6H2,1H3
InChIKeyBIVUKBSNEBPJFI-UHFFFAOYSA-N
XLogP-0.19
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.13
LogP ≤ 5-0.19
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 4-amino-1-methylpyrazole-5-carbaldehyde?
The IUPAC name of 4-amino-1-methylpyrazole-5-carbaldehyde (CID 83383376) is 4-amino-1-methylpyrazole-5-carbaldehyde.
What is the SMILES notation for 4-amino-1-methylpyrazole-5-carbaldehyde?
The canonical SMILES for 4-amino-1-methylpyrazole-5-carbaldehyde is Cn1ncc(N)c1C=O.
What is the InChIKey of 4-amino-1-methylpyrazole-5-carbaldehyde?
The InChIKey is BIVUKBSNEBPJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O/c1-8-5(3-9)4(6)2-7-8/h2-3H,6H2,1H3.
What are the key properties of 4-amino-1-methylpyrazole-5-carbaldehyde?
4-amino-1-methylpyrazole-5-carbaldehyde has a molecular weight of 125.13 g/mol, XLogP of -0.19, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methylpyrazole-5-carbaldehyde is sourced from PubChem (CID 83383376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).