4-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-ol

C10H14N4O2 — CID 79191349

IUPAC4-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-ol
SMILESCn1cc(-c2noc(CCCCO)n2)cn1
InChIInChI=1S/C10H14N4O2/c1-14-7-8(6-11-14)10-12-9(16-13-10)4-2-3-5-15/h6-7,15H,2-5H2,1H3
InChIKeyPYALBZBXAJIWCJ-UHFFFAOYSA-N
MW222.25 g/mol
LogP0.79
Rot. Bonds5

About 4-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-ol

4-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-ol (PubChem CID 79191349) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 4-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-ol.

Molecular Properties

Compound Name4-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-ol
PubChem CID79191349
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name4-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-ol
SMILESCn1cc(-c2noc(CCCCO)n2)cn1
InChIInChI=1S/C10H14N4O2/c1-14-7-8(6-11-14)10-12-9(16-13-10)4-2-3-5-15/h6-7,15H,2-5H2,1H3
InChIKeyPYALBZBXAJIWCJ-UHFFFAOYSA-N
XLogP0.79
TPSA76.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-ol?
The IUPAC name of 4-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-ol (CID 79191349) is 4-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-ol.
What is the SMILES notation for 4-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-ol?
The canonical SMILES for 4-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-ol is Cn1cc(-c2noc(CCCCO)n2)cn1.
What is the InChIKey of 4-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-ol?
The InChIKey is PYALBZBXAJIWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-14-7-8(6-11-14)10-12-9(16-13-10)4-2-3-5-15/h6-7,15H,2-5H2,1H3.
What are the key properties of 4-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-ol?
4-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-ol has a molecular weight of 222.25 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-ol is sourced from PubChem (CID 79191349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).