5-[[(5-methyl-1H-pyrazole-3-carbonyl)hydrazinylidene]methyl]furan-2-sulfonate

C10H9N4O5S- — CID 3344556

IUPAC5-[[(5-methyl-1H-pyrazole-3-carbonyl)hydrazinylidene]methyl]furan-2-sulfonate
SMILESCc1cc(C(=O)NN=Cc2ccc(S(=O)(=O)[O-])o2)n[nH]1
InChIInChI=1S/C10H10N4O5S/c1-6-4-8(13-12-6)10(15)14-11-5-7-2-3-9(19-7)20(16,17)18/h2-5H,1H3,(H,12,13)(H,14,15)(H,16,17,18)/p-1
InChIKeyXZIUNGXLMXHJHH-UHFFFAOYSA-M
MW297.27 g/mol
LogP-0.02
Rot. Bonds4

About 5-[[(5-methyl-1H-pyrazole-3-carbonyl)hydrazinylidene]methyl]furan-2-sulfonate

5-[[(5-methyl-1H-pyrazole-3-carbonyl)hydrazinylidene]methyl]furan-2-sulfonate (PubChem CID 3344556) has the molecular formula C10H9N4O5S- and a molecular weight of 297.27 g/mol. Its IUPAC name is 5-[[(5-methyl-1H-pyrazole-3-carbonyl)hydrazinylidene]methyl]furan-2-sulfonate.

Molecular Properties

Compound Name5-[[(5-methyl-1H-pyrazole-3-carbonyl)hydrazinylidene]methyl]furan-2-sulfonate
PubChem CID3344556
Molecular FormulaC10H9N4O5S-
Molecular Weight297.27 g/mol
Exact Mass297.03
IUPAC Name5-[[(5-methyl-1H-pyrazole-3-carbonyl)hydrazinylidene]methyl]furan-2-sulfonate
SMILESCc1cc(C(=O)NN=Cc2ccc(S(=O)(=O)[O-])o2)n[nH]1
InChIInChI=1S/C10H10N4O5S/c1-6-4-8(13-12-6)10(15)14-11-5-7-2-3-9(19-7)20(16,17)18/h2-5H,1H3,(H,12,13)(H,14,15)(H,16,17,18)/p-1
InChIKeyXZIUNGXLMXHJHH-UHFFFAOYSA-M
XLogP-0.02
TPSA140.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[[(5-methyl-1H-pyrazole-3-carbonyl)hydrazinylidene]methyl]furan-2-sulfonate?
The IUPAC name of 5-[[(5-methyl-1H-pyrazole-3-carbonyl)hydrazinylidene]methyl]furan-2-sulfonate (CID 3344556) is 5-[[(5-methyl-1H-pyrazole-3-carbonyl)hydrazinylidene]methyl]furan-2-sulfonate.
What is the SMILES notation for 5-[[(5-methyl-1H-pyrazole-3-carbonyl)hydrazinylidene]methyl]furan-2-sulfonate?
The canonical SMILES for 5-[[(5-methyl-1H-pyrazole-3-carbonyl)hydrazinylidene]methyl]furan-2-sulfonate is Cc1cc(C(=O)NN=Cc2ccc(S(=O)(=O)[O-])o2)n[nH]1.
What is the InChIKey of 5-[[(5-methyl-1H-pyrazole-3-carbonyl)hydrazinylidene]methyl]furan-2-sulfonate?
The InChIKey is XZIUNGXLMXHJHH-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H10N4O5S/c1-6-4-8(13-12-6)10(15)14-11-5-7-2-3-9(19-7)20(16,17)18/h2-5H,1H3,(H,12,13)(H,14,15)(H,16,17,18)/p-1.
What are the key properties of 5-[[(5-methyl-1H-pyrazole-3-carbonyl)hydrazinylidene]methyl]furan-2-sulfonate?
5-[[(5-methyl-1H-pyrazole-3-carbonyl)hydrazinylidene]methyl]furan-2-sulfonate has a molecular weight of 297.27 g/mol, XLogP of -0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(5-methyl-1H-pyrazole-3-carbonyl)hydrazinylidene]methyl]furan-2-sulfonate is sourced from PubChem (CID 3344556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).