[5-[(4-nitropyrazol-1-yl)methyl]furan-2-yl]methanol

C9H9N3O4 — CID 66928816

IUPAC[5-[(4-nitropyrazol-1-yl)methyl]furan-2-yl]methanol
SMILESO=[N+]([O-])c1cnn(Cc2ccc(CO)o2)c1
InChIInChI=1S/C9H9N3O4/c13-6-9-2-1-8(16-9)5-11-4-7(3-10-11)12(14)15/h1-4,13H,5-6H2
InChIKeyOXSGTIUKZVIIAI-UHFFFAOYSA-N
MW223.19 g/mol
LogP0.92
Rot. Bonds4

About [5-[(4-nitropyrazol-1-yl)methyl]furan-2-yl]methanol

[5-[(4-nitropyrazol-1-yl)methyl]furan-2-yl]methanol (PubChem CID 66928816) has the molecular formula C9H9N3O4 and a molecular weight of 223.19 g/mol. Its IUPAC name is [5-[(4-nitropyrazol-1-yl)methyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[(4-nitropyrazol-1-yl)methyl]furan-2-yl]methanol
PubChem CID66928816
Molecular FormulaC9H9N3O4
Molecular Weight223.19 g/mol
Exact Mass223.06
IUPAC Name[5-[(4-nitropyrazol-1-yl)methyl]furan-2-yl]methanol
SMILESO=[N+]([O-])c1cnn(Cc2ccc(CO)o2)c1
InChIInChI=1S/C9H9N3O4/c13-6-9-2-1-8(16-9)5-11-4-7(3-10-11)12(14)15/h1-4,13H,5-6H2
InChIKeyOXSGTIUKZVIIAI-UHFFFAOYSA-N
XLogP0.92
TPSA94.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.19
LogP ≤ 50.92
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,N-dicyclohexyl-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide
CID 19575313
[5-[(3-nitropyrazol-1-yl)methyl]furan-2-yl]methanol
CID 66928541
N-hydroxy-2-(4-nitropyrazol-1-yl)acetamide
CID 131036166
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide
CID 19460936
N-(3-methoxy-5-nitrophenyl)-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide
CID 19459182
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide
CID 19459133
N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide
CID 5080991
N-(4-tert-butylcyclohexyl)-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide
CID 19575442
(E)-1-(5-ethylthiophen-2-yl)-3-[5-[(4-nitropyrazol-1-yl)methyl]furan-2-yl]prop-2-en-1-one
CID 19557100
5-[(4-nitropyrazol-1-yl)methyl]-N-[(E)-pyridin-3-ylmethylideneamino]furan-2-carboxamide
CID 6873652
N-(2-benzoylphenyl)-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide
CID 3404959
N-[1-(ethoxymethyl)pyrazol-4-yl]-5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxamide
CID 19460961

Frequently Asked Questions

What is the IUPAC name of [5-[(4-nitropyrazol-1-yl)methyl]furan-2-yl]methanol?
The IUPAC name of [5-[(4-nitropyrazol-1-yl)methyl]furan-2-yl]methanol (CID 66928816) is [5-[(4-nitropyrazol-1-yl)methyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[(4-nitropyrazol-1-yl)methyl]furan-2-yl]methanol?
The canonical SMILES for [5-[(4-nitropyrazol-1-yl)methyl]furan-2-yl]methanol is O=[N+]([O-])c1cnn(Cc2ccc(CO)o2)c1.
What is the InChIKey of [5-[(4-nitropyrazol-1-yl)methyl]furan-2-yl]methanol?
The InChIKey is OXSGTIUKZVIIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O4/c13-6-9-2-1-8(16-9)5-11-4-7(3-10-11)12(14)15/h1-4,13H,5-6H2.
What are the key properties of [5-[(4-nitropyrazol-1-yl)methyl]furan-2-yl]methanol?
[5-[(4-nitropyrazol-1-yl)methyl]furan-2-yl]methanol has a molecular weight of 223.19 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-nitropyrazol-1-yl)methyl]furan-2-yl]methanol is sourced from PubChem (CID 66928816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).