[3-[(4-nitropyrazol-1-yl)methyl]oxetan-3-yl]methanol

C8H11N3O4 — CID 66765542

IUPAC[3-[(4-nitropyrazol-1-yl)methyl]oxetan-3-yl]methanol
SMILESO=[N+]([O-])c1cnn(CC2(CO)COC2)c1
InChIInChI=1S/C8H11N3O4/c12-4-8(5-15-6-8)3-10-2-7(1-9-10)11(13)14/h1-2,12H,3-6H2
InChIKeyAXSCIACAMZLMBW-UHFFFAOYSA-N
MW213.19 g/mol
LogP-0.20
Rot. Bonds4

About [3-[(4-nitropyrazol-1-yl)methyl]oxetan-3-yl]methanol

[3-[(4-nitropyrazol-1-yl)methyl]oxetan-3-yl]methanol (PubChem CID 66765542) has the molecular formula C8H11N3O4 and a molecular weight of 213.19 g/mol. Its IUPAC name is [3-[(4-nitropyrazol-1-yl)methyl]oxetan-3-yl]methanol.

Molecular Properties

Compound Name[3-[(4-nitropyrazol-1-yl)methyl]oxetan-3-yl]methanol
PubChem CID66765542
Molecular FormulaC8H11N3O4
Molecular Weight213.19 g/mol
Exact Mass213.07
IUPAC Name[3-[(4-nitropyrazol-1-yl)methyl]oxetan-3-yl]methanol
SMILESO=[N+]([O-])c1cnn(CC2(CO)COC2)c1
InChIInChI=1S/C8H11N3O4/c12-4-8(5-15-6-8)3-10-2-7(1-9-10)11(13)14/h1-2,12H,3-6H2
InChIKeyAXSCIACAMZLMBW-UHFFFAOYSA-N
XLogP-0.20
TPSA90.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-(hydroxymethyl)oxan-4-yl]-2-(4-nitropyrazol-1-yl)acetamide
CID 104630428
4-methyl-1-[(4-nitropyrazol-1-yl)methyl]cyclohexan-1-ol
CID 75432641
[1-(4-nitropyrazol-1-yl)cyclopropyl]methanol
CID 91619134
[5-[(4-nitropyrazol-1-yl)methyl]furan-2-yl]methanol
CID 66928816
2-(4-nitropyrazol-1-yl)ethanamine
CID 7017136
N-hydroxy-2-(4-nitropyrazol-1-yl)acetamide
CID 131036166
(2R)-2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]propanoic acid
CID 54990888
2-methyl-4-(4-nitropyrazol-1-yl)but-2-enoic acid
CID 77075252
2-[(4-nitropyrazol-1-yl)methylsulfinyl]acetic acid
CID 19621750
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-(4-nitropyrazol-1-yl)acetamide
CID 62527735
3-hydroxy-2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]propanoic acid
CID 43357618
1-butyl-4-nitropyrazole
CID 50999673

Frequently Asked Questions

What is the IUPAC name of [3-[(4-nitropyrazol-1-yl)methyl]oxetan-3-yl]methanol?
The IUPAC name of [3-[(4-nitropyrazol-1-yl)methyl]oxetan-3-yl]methanol (CID 66765542) is [3-[(4-nitropyrazol-1-yl)methyl]oxetan-3-yl]methanol.
What is the SMILES notation for [3-[(4-nitropyrazol-1-yl)methyl]oxetan-3-yl]methanol?
The canonical SMILES for [3-[(4-nitropyrazol-1-yl)methyl]oxetan-3-yl]methanol is O=[N+]([O-])c1cnn(CC2(CO)COC2)c1.
What is the InChIKey of [3-[(4-nitropyrazol-1-yl)methyl]oxetan-3-yl]methanol?
The InChIKey is AXSCIACAMZLMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O4/c12-4-8(5-15-6-8)3-10-2-7(1-9-10)11(13)14/h1-2,12H,3-6H2.
What are the key properties of [3-[(4-nitropyrazol-1-yl)methyl]oxetan-3-yl]methanol?
[3-[(4-nitropyrazol-1-yl)methyl]oxetan-3-yl]methanol has a molecular weight of 213.19 g/mol, XLogP of -0.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-nitropyrazol-1-yl)methyl]oxetan-3-yl]methanol is sourced from PubChem (CID 66765542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).