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

C10H10N4O5S — CID 3344557

IUPAC5-[[(5-methyl-1H-pyrazole-3-carbonyl)hydrazinylidene]methyl]furan-2-sulfonic acid
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)
InChIKeyXZIUNGXLMXHJHH-UHFFFAOYSA-N
MW298.28 g/mol
LogP0.32
Rot. Bonds4

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

5-[[(5-methyl-1H-pyrazole-3-carbonyl)hydrazinylidene]methyl]furan-2-sulfonic acid (PubChem CID 3344557) has the molecular formula C10H10N4O5S and a molecular weight of 298.28 g/mol. Its IUPAC name is 5-[[(5-methyl-1H-pyrazole-3-carbonyl)hydrazinylidene]methyl]furan-2-sulfonic acid.

Molecular Properties

Compound Name5-[[(5-methyl-1H-pyrazole-3-carbonyl)hydrazinylidene]methyl]furan-2-sulfonic acid
PubChem CID3344557
Molecular FormulaC10H10N4O5S
Molecular Weight298.28 g/mol
Exact Mass298.04
IUPAC Name5-[[(5-methyl-1H-pyrazole-3-carbonyl)hydrazinylidene]methyl]furan-2-sulfonic acid
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)
InChIKeyXZIUNGXLMXHJHH-UHFFFAOYSA-N
XLogP0.32
TPSA137.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.28
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-sulfonic acid?
The IUPAC name of 5-[[(5-methyl-1H-pyrazole-3-carbonyl)hydrazinylidene]methyl]furan-2-sulfonic acid (CID 3344557) is 5-[[(5-methyl-1H-pyrazole-3-carbonyl)hydrazinylidene]methyl]furan-2-sulfonic acid.
What is the SMILES notation for 5-[[(5-methyl-1H-pyrazole-3-carbonyl)hydrazinylidene]methyl]furan-2-sulfonic acid?
The canonical SMILES for 5-[[(5-methyl-1H-pyrazole-3-carbonyl)hydrazinylidene]methyl]furan-2-sulfonic acid 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-sulfonic acid?
The InChIKey is XZIUNGXLMXHJHH-UHFFFAOYSA-N. 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).
What are the key properties of 5-[[(5-methyl-1H-pyrazole-3-carbonyl)hydrazinylidene]methyl]furan-2-sulfonic acid?
5-[[(5-methyl-1H-pyrazole-3-carbonyl)hydrazinylidene]methyl]furan-2-sulfonic acid has a molecular weight of 298.28 g/mol, XLogP of 0.32, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(5-methyl-1H-pyrazole-3-carbonyl)hydrazinylidene]methyl]furan-2-sulfonic acid is sourced from PubChem (CID 3344557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).