1-(4-aminopyrazol-1-yl)-2-(oxetan-3-yl)ethanone

C8H11N3O2 — CID 112524982

IUPAC1-(4-aminopyrazol-1-yl)-2-(oxetan-3-yl)ethanone
SMILESNc1cnn(C(=O)CC2COC2)c1
InChIInChI=1S/C8H11N3O2/c9-7-2-10-11(3-7)8(12)1-6-4-13-5-6/h2-3,6H,1,4-5,9H2
InChIKeyWFYLTUZRPLWMRF-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.14
Rot. Bonds2

About 1-(4-aminopyrazol-1-yl)-2-(oxetan-3-yl)ethanone

1-(4-aminopyrazol-1-yl)-2-(oxetan-3-yl)ethanone (PubChem CID 112524982) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 1-(4-aminopyrazol-1-yl)-2-(oxetan-3-yl)ethanone.

Molecular Properties

Compound Name1-(4-aminopyrazol-1-yl)-2-(oxetan-3-yl)ethanone
PubChem CID112524982
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name1-(4-aminopyrazol-1-yl)-2-(oxetan-3-yl)ethanone
SMILESNc1cnn(C(=O)CC2COC2)c1
InChIInChI=1S/C8H11N3O2/c9-7-2-10-11(3-7)8(12)1-6-4-13-5-6/h2-3,6H,1,4-5,9H2
InChIKeyWFYLTUZRPLWMRF-UHFFFAOYSA-N
XLogP0.14
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopyrazol-1-yl)-2-(oxetan-3-yl)ethanone?
The IUPAC name of 1-(4-aminopyrazol-1-yl)-2-(oxetan-3-yl)ethanone (CID 112524982) is 1-(4-aminopyrazol-1-yl)-2-(oxetan-3-yl)ethanone.
What is the SMILES notation for 1-(4-aminopyrazol-1-yl)-2-(oxetan-3-yl)ethanone?
The canonical SMILES for 1-(4-aminopyrazol-1-yl)-2-(oxetan-3-yl)ethanone is Nc1cnn(C(=O)CC2COC2)c1.
What is the InChIKey of 1-(4-aminopyrazol-1-yl)-2-(oxetan-3-yl)ethanone?
The InChIKey is WFYLTUZRPLWMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c9-7-2-10-11(3-7)8(12)1-6-4-13-5-6/h2-3,6H,1,4-5,9H2.
What are the key properties of 1-(4-aminopyrazol-1-yl)-2-(oxetan-3-yl)ethanone?
1-(4-aminopyrazol-1-yl)-2-(oxetan-3-yl)ethanone has a molecular weight of 181.19 g/mol, XLogP of 0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopyrazol-1-yl)-2-(oxetan-3-yl)ethanone is sourced from PubChem (CID 112524982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).