5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazole-2-carbaldehyde

C7H6N4O2 — CID 175961593

IUPAC5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazole-2-carbaldehyde
SMILESCn1cc(-c2nnc(C=O)o2)cn1
InChIInChI=1S/C7H6N4O2/c1-11-3-5(2-8-11)7-10-9-6(4-12)13-7/h2-4H,1H3
InChIKeyOVFPVIATOHXKQZ-UHFFFAOYSA-N
MW178.15 g/mol
LogP0.28
Rot. Bonds2

About 5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazole-2-carbaldehyde

5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazole-2-carbaldehyde (PubChem CID 175961593) has the molecular formula C7H6N4O2 and a molecular weight of 178.15 g/mol. Its IUPAC name is 5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazole-2-carbaldehyde.

Molecular Properties

Compound Name5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazole-2-carbaldehyde
PubChem CID175961593
Molecular FormulaC7H6N4O2
Molecular Weight178.15 g/mol
Exact Mass178.05
IUPAC Name5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazole-2-carbaldehyde
SMILESCn1cc(-c2nnc(C=O)o2)cn1
InChIInChI=1S/C7H6N4O2/c1-11-3-5(2-8-11)7-10-9-6(4-12)13-7/h2-4H,1H3
InChIKeyOVFPVIATOHXKQZ-UHFFFAOYSA-N
XLogP0.28
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.15
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-(1-methylpyrazol-4-yl)-1,3,4-oxadiazole-2-carbaldehyde?
The IUPAC name of 5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazole-2-carbaldehyde (CID 175961593) is 5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazole-2-carbaldehyde.
What is the SMILES notation for 5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazole-2-carbaldehyde?
The canonical SMILES for 5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazole-2-carbaldehyde is Cn1cc(-c2nnc(C=O)o2)cn1.
What is the InChIKey of 5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazole-2-carbaldehyde?
The InChIKey is OVFPVIATOHXKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O2/c1-11-3-5(2-8-11)7-10-9-6(4-12)13-7/h2-4H,1H3.
What are the key properties of 5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazole-2-carbaldehyde?
5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazole-2-carbaldehyde has a molecular weight of 178.15 g/mol, XLogP of 0.28, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazole-2-carbaldehyde is sourced from PubChem (CID 175961593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).