2-[(1-methylpyrazol-3-yl)amino]acetaldehyde

C6H9N3O — CID 91444715

IUPAC2-[(1-methylpyrazol-3-yl)amino]acetaldehyde
SMILESCn1ccc(NCC=O)n1
InChIInChI=1S/C6H9N3O/c1-9-4-2-6(8-9)7-3-5-10/h2,4-5H,3H2,1H3,(H,7,8)
InChIKeyPKVLSLJGOVYZFC-UHFFFAOYSA-N
MW139.16 g/mol
LogP0.03
Rot. Bonds3

About 2-[(1-methylpyrazol-3-yl)amino]acetaldehyde

2-[(1-methylpyrazol-3-yl)amino]acetaldehyde (PubChem CID 91444715) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 2-[(1-methylpyrazol-3-yl)amino]acetaldehyde.

Molecular Properties

Compound Name2-[(1-methylpyrazol-3-yl)amino]acetaldehyde
PubChem CID91444715
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name2-[(1-methylpyrazol-3-yl)amino]acetaldehyde
SMILESCn1ccc(NCC=O)n1
InChIInChI=1S/C6H9N3O/c1-9-4-2-6(8-9)7-3-5-10/h2,4-5H,3H2,1H3,(H,7,8)
InChIKeyPKVLSLJGOVYZFC-UHFFFAOYSA-N
XLogP0.03
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 50.03
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 2-[(1-methylpyrazol-3-yl)amino]acetaldehyde?
The IUPAC name of 2-[(1-methylpyrazol-3-yl)amino]acetaldehyde (CID 91444715) is 2-[(1-methylpyrazol-3-yl)amino]acetaldehyde.
What is the SMILES notation for 2-[(1-methylpyrazol-3-yl)amino]acetaldehyde?
The canonical SMILES for 2-[(1-methylpyrazol-3-yl)amino]acetaldehyde is Cn1ccc(NCC=O)n1.
What is the InChIKey of 2-[(1-methylpyrazol-3-yl)amino]acetaldehyde?
The InChIKey is PKVLSLJGOVYZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c1-9-4-2-6(8-9)7-3-5-10/h2,4-5H,3H2,1H3,(H,7,8).
What are the key properties of 2-[(1-methylpyrazol-3-yl)amino]acetaldehyde?
2-[(1-methylpyrazol-3-yl)amino]acetaldehyde has a molecular weight of 139.16 g/mol, XLogP of 0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpyrazol-3-yl)amino]acetaldehyde is sourced from PubChem (CID 91444715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).