4-amino-1H-pyrazole-5-carbaldehyde

C4H5N3O — CID 71721420

IUPAC4-amino-1H-pyrazole-5-carbaldehyde
SMILESNc1cn[nH]c1C=O
InChIInChI=1S/C4H5N3O/c5-3-1-6-7-4(3)2-8/h1-2H,5H2,(H,6,7)
InChIKeySLGJCTPVWIUXME-UHFFFAOYSA-N
MW111.10 g/mol
LogP-0.20
Rot. Bonds1

About 4-amino-1H-pyrazole-5-carbaldehyde

4-amino-1H-pyrazole-5-carbaldehyde (PubChem CID 71721420) has the molecular formula C4H5N3O and a molecular weight of 111.10 g/mol. Its IUPAC name is 4-amino-1H-pyrazole-5-carbaldehyde.

Molecular Properties

Compound Name4-amino-1H-pyrazole-5-carbaldehyde
PubChem CID71721420
Molecular FormulaC4H5N3O
Molecular Weight111.10 g/mol
Exact Mass111.04
IUPAC Name4-amino-1H-pyrazole-5-carbaldehyde
SMILESNc1cn[nH]c1C=O
InChIInChI=1S/C4H5N3O/c5-3-1-6-7-4(3)2-8/h1-2H,5H2,(H,6,7)
InChIKeySLGJCTPVWIUXME-UHFFFAOYSA-N
XLogP-0.20
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.10
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-1H-pyrazole-5-carbaldehyde?
The IUPAC name of 4-amino-1H-pyrazole-5-carbaldehyde (CID 71721420) is 4-amino-1H-pyrazole-5-carbaldehyde.
What is the SMILES notation for 4-amino-1H-pyrazole-5-carbaldehyde?
The canonical SMILES for 4-amino-1H-pyrazole-5-carbaldehyde is Nc1cn[nH]c1C=O.
What is the InChIKey of 4-amino-1H-pyrazole-5-carbaldehyde?
The InChIKey is SLGJCTPVWIUXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3O/c5-3-1-6-7-4(3)2-8/h1-2H,5H2,(H,6,7).
What are the key properties of 4-amino-1H-pyrazole-5-carbaldehyde?
4-amino-1H-pyrazole-5-carbaldehyde has a molecular weight of 111.10 g/mol, XLogP of -0.20, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1H-pyrazole-5-carbaldehyde is sourced from PubChem (CID 71721420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).