1-(1,3-oxazol-5-yl)pyrazole-3-carbaldehyde

C7H5N3O2 — CID 96633845

IUPAC1-(1,3-oxazol-5-yl)pyrazole-3-carbaldehyde
SMILESO=Cc1ccn(-c2cnco2)n1
InChIInChI=1S/C7H5N3O2/c11-4-6-1-2-10(9-6)7-3-8-5-12-7/h1-5H
InChIKeyNGPZUGHNQRECBG-UHFFFAOYSA-N
MW163.14 g/mol
LogP0.67
Rot. Bonds2

About 1-(1,3-oxazol-5-yl)pyrazole-3-carbaldehyde

1-(1,3-oxazol-5-yl)pyrazole-3-carbaldehyde (PubChem CID 96633845) has the molecular formula C7H5N3O2 and a molecular weight of 163.14 g/mol. Its IUPAC name is 1-(1,3-oxazol-5-yl)pyrazole-3-carbaldehyde.

Molecular Properties

Compound Name1-(1,3-oxazol-5-yl)pyrazole-3-carbaldehyde
PubChem CID96633845
Molecular FormulaC7H5N3O2
Molecular Weight163.14 g/mol
Exact Mass163.04
IUPAC Name1-(1,3-oxazol-5-yl)pyrazole-3-carbaldehyde
SMILESO=Cc1ccn(-c2cnco2)n1
InChIInChI=1S/C7H5N3O2/c11-4-6-1-2-10(9-6)7-3-8-5-12-7/h1-5H
InChIKeyNGPZUGHNQRECBG-UHFFFAOYSA-N
XLogP0.67
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.14
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-oxazol-5-yl)pyrazole-3-carbaldehyde?
The IUPAC name of 1-(1,3-oxazol-5-yl)pyrazole-3-carbaldehyde (CID 96633845) is 1-(1,3-oxazol-5-yl)pyrazole-3-carbaldehyde.
What is the SMILES notation for 1-(1,3-oxazol-5-yl)pyrazole-3-carbaldehyde?
The canonical SMILES for 1-(1,3-oxazol-5-yl)pyrazole-3-carbaldehyde is O=Cc1ccn(-c2cnco2)n1.
What is the InChIKey of 1-(1,3-oxazol-5-yl)pyrazole-3-carbaldehyde?
The InChIKey is NGPZUGHNQRECBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O2/c11-4-6-1-2-10(9-6)7-3-8-5-12-7/h1-5H.
What are the key properties of 1-(1,3-oxazol-5-yl)pyrazole-3-carbaldehyde?
1-(1,3-oxazol-5-yl)pyrazole-3-carbaldehyde has a molecular weight of 163.14 g/mol, XLogP of 0.67, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-oxazol-5-yl)pyrazole-3-carbaldehyde is sourced from PubChem (CID 96633845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).