2-(2-hydroxyethyl)-5-nitro-3-[(5-nitrofuran-2-yl)methylidene]-1H-pyrazole-4-carboxylic acid

C11H10N4O8 — CID 57093407

IUPAC2-(2-hydroxyethyl)-5-nitro-3-[(5-nitrofuran-2-yl)methylidene]-1H-pyrazole-4-carboxylic acid
SMILESO=C(O)C1=C([N+](=O)[O-])NN(CCO)C1=Cc1ccc([N+](=O)[O-])o1
InChIInChI=1S/C11H10N4O8/c16-4-3-13-7(5-6-1-2-8(23-6)14(19)20)9(11(17)18)10(12-13)15(21)22/h1-2,5,12,16H,3-4H2,(H,17,18)
InChIKeyYCBWXDYFSLMWAL-UHFFFAOYSA-N
MW326.22 g/mol
LogP-0.09
Rot. Bonds6

About 2-(2-hydroxyethyl)-5-nitro-3-[(5-nitrofuran-2-yl)methylidene]-1H-pyrazole-4-carboxylic acid

2-(2-hydroxyethyl)-5-nitro-3-[(5-nitrofuran-2-yl)methylidene]-1H-pyrazole-4-carboxylic acid (PubChem CID 57093407) has the molecular formula C11H10N4O8 and a molecular weight of 326.22 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)-5-nitro-3-[(5-nitrofuran-2-yl)methylidene]-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-hydroxyethyl)-5-nitro-3-[(5-nitrofuran-2-yl)methylidene]-1H-pyrazole-4-carboxylic acid
PubChem CID57093407
Molecular FormulaC11H10N4O8
Molecular Weight326.22 g/mol
Exact Mass326.05
IUPAC Name2-(2-hydroxyethyl)-5-nitro-3-[(5-nitrofuran-2-yl)methylidene]-1H-pyrazole-4-carboxylic acid
SMILESO=C(O)C1=C([N+](=O)[O-])NN(CCO)C1=Cc1ccc([N+](=O)[O-])o1
InChIInChI=1S/C11H10N4O8/c16-4-3-13-7(5-6-1-2-8(23-6)14(19)20)9(11(17)18)10(12-13)15(21)22/h1-2,5,12,16H,3-4H2,(H,17,18)
InChIKeyYCBWXDYFSLMWAL-UHFFFAOYSA-N
XLogP-0.09
TPSA172.22 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.22
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 2-(2-hydroxyethyl)-5-nitro-3-[(5-nitrofuran-2-yl)methylidene]-1H-pyrazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-5-nitro-3-[(5-nitrofuran-2-yl)methylidene]-1H-pyrazole-4-carboxylic acid
CID 57258416
1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]-1-[(E)-(5-nitrofuran-2-yl)methylideneamino]urea
CID 134111809
4-[(E)-2-(5-nitrofuran-2-yl)ethenyl]benzoic acid
CID 6440938
2-[(E)-2-chloroethenyl]-5-nitrofuran
CID 127261425
3-(2-hydroxyethyl)-1-[(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2,4-dione
CID 154206915
2-hydroxyethyl N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]carbamate
CID 6433366
3-(5-nitrofuran-2-yl)prop-2-enoate
CID 3423261
4-[3-methylidene-4-[(5-nitrofuran-2-yl)methylidene]-5-oxopyrazolidin-1-yl]benzoic acid
CID 4651135
azane;5-nitrofuran-2-carbaldehyde
CID 174516774
N-[(5Z)-3-methyl-5-[(5-nitrofuran-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide
CID 23275509
3-(hydroxymethyl)-5-[(5-nitrofuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 165343235
(E)-1-(4-methylpiperazin-1-yl)-3-(5-nitrofuran-2-yl)prop-2-en-1-one
CID 5356520

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethyl)-5-nitro-3-[(5-nitrofuran-2-yl)methylidene]-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 2-(2-hydroxyethyl)-5-nitro-3-[(5-nitrofuran-2-yl)methylidene]-1H-pyrazole-4-carboxylic acid (CID 57093407) is 2-(2-hydroxyethyl)-5-nitro-3-[(5-nitrofuran-2-yl)methylidene]-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 2-(2-hydroxyethyl)-5-nitro-3-[(5-nitrofuran-2-yl)methylidene]-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 2-(2-hydroxyethyl)-5-nitro-3-[(5-nitrofuran-2-yl)methylidene]-1H-pyrazole-4-carboxylic acid is O=C(O)C1=C([N+](=O)[O-])NN(CCO)C1=Cc1ccc([N+](=O)[O-])o1.
What is the InChIKey of 2-(2-hydroxyethyl)-5-nitro-3-[(5-nitrofuran-2-yl)methylidene]-1H-pyrazole-4-carboxylic acid?
The InChIKey is YCBWXDYFSLMWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O8/c16-4-3-13-7(5-6-1-2-8(23-6)14(19)20)9(11(17)18)10(12-13)15(21)22/h1-2,5,12,16H,3-4H2,(H,17,18).
What are the key properties of 2-(2-hydroxyethyl)-5-nitro-3-[(5-nitrofuran-2-yl)methylidene]-1H-pyrazole-4-carboxylic acid?
2-(2-hydroxyethyl)-5-nitro-3-[(5-nitrofuran-2-yl)methylidene]-1H-pyrazole-4-carboxylic acid has a molecular weight of 326.22 g/mol, XLogP of -0.09, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyl)-5-nitro-3-[(5-nitrofuran-2-yl)methylidene]-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 57093407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).