5-(oxetan-2-yl)-1H-pyrazole

C6H8N2O — CID 163643451

IUPAC5-(oxetan-2-yl)-1H-pyrazole
SMILESc1cc(C2CCO2)[nH]n1
InChIInChI=1S/C6H8N2O/c1-3-7-8-5(1)6-2-4-9-6/h1,3,6H,2,4H2,(H,7,8)
InChIKeyIGGJSTDJLJEBMH-UHFFFAOYSA-N
MW124.14 g/mol
LogP0.87
Rot. Bonds1

About 5-(oxetan-2-yl)-1H-pyrazole

5-(oxetan-2-yl)-1H-pyrazole (PubChem CID 163643451) has the molecular formula C6H8N2O and a molecular weight of 124.14 g/mol. Its IUPAC name is 5-(oxetan-2-yl)-1H-pyrazole.

Molecular Properties

Compound Name5-(oxetan-2-yl)-1H-pyrazole
PubChem CID163643451
Molecular FormulaC6H8N2O
Molecular Weight124.14 g/mol
Exact Mass124.06
IUPAC Name5-(oxetan-2-yl)-1H-pyrazole
SMILESc1cc(C2CCO2)[nH]n1
InChIInChI=1S/C6H8N2O/c1-3-7-8-5(1)6-2-4-9-6/h1,3,6H,2,4H2,(H,7,8)
InChIKeyIGGJSTDJLJEBMH-UHFFFAOYSA-N
XLogP0.87
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(oxetan-2-yl)-1H-pyrazole?
The IUPAC name of 5-(oxetan-2-yl)-1H-pyrazole (CID 163643451) is 5-(oxetan-2-yl)-1H-pyrazole.
What is the SMILES notation for 5-(oxetan-2-yl)-1H-pyrazole?
The canonical SMILES for 5-(oxetan-2-yl)-1H-pyrazole is c1cc(C2CCO2)[nH]n1.
What is the InChIKey of 5-(oxetan-2-yl)-1H-pyrazole?
The InChIKey is IGGJSTDJLJEBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O/c1-3-7-8-5(1)6-2-4-9-6/h1,3,6H,2,4H2,(H,7,8).
What are the key properties of 5-(oxetan-2-yl)-1H-pyrazole?
5-(oxetan-2-yl)-1H-pyrazole has a molecular weight of 124.14 g/mol, XLogP of 0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxetan-2-yl)-1H-pyrazole is sourced from PubChem (CID 163643451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).