2-(4,5-diaminopyrazol-1-yl)ethanol;sulfuric acid

C5H12N4O5S — CID 11673148

IUPAC2-(4,5-diaminopyrazol-1-yl)ethanol;sulfuric acid
SMILESNc1cnn(CCO)c1N.O=S(=O)(O)O
InChIInChI=1S/C5H10N4O.H2O4S/c6-4-3-8-9(1-2-10)5(4)7;1-5(2,3)4/h3,10H,1-2,6-7H2;(H2,1,2,3,4)
InChIKeyIBCDZZHMNXXYAP-UHFFFAOYSA-N
MW240.24 g/mol
LogP-1.61
Rot. Bonds2

About 2-(4,5-diaminopyrazol-1-yl)ethanol;sulfuric acid

2-(4,5-diaminopyrazol-1-yl)ethanol;sulfuric acid (PubChem CID 11673148) has the molecular formula C5H12N4O5S and a molecular weight of 240.24 g/mol. Its IUPAC name is 2-(4,5-diaminopyrazol-1-yl)ethanol;sulfuric acid.

Molecular Properties

Compound Name2-(4,5-diaminopyrazol-1-yl)ethanol;sulfuric acid
PubChem CID11673148
Molecular FormulaC5H12N4O5S
Molecular Weight240.24 g/mol
Exact Mass240.05
IUPAC Name2-(4,5-diaminopyrazol-1-yl)ethanol;sulfuric acid
SMILESNc1cnn(CCO)c1N.O=S(=O)(O)O
InChIInChI=1S/C5H10N4O.H2O4S/c6-4-3-8-9(1-2-10)5(4)7;1-5(2,3)4/h3,10H,1-2,6-7H2;(H2,1,2,3,4)
InChIKeyIBCDZZHMNXXYAP-UHFFFAOYSA-N
XLogP-1.61
TPSA164.69 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.24
LogP ≤ 5-1.61
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-diaminopyrazol-1-yl)ethanol;sulfuric acid?
The IUPAC name of 2-(4,5-diaminopyrazol-1-yl)ethanol;sulfuric acid (CID 11673148) is 2-(4,5-diaminopyrazol-1-yl)ethanol;sulfuric acid.
What is the SMILES notation for 2-(4,5-diaminopyrazol-1-yl)ethanol;sulfuric acid?
The canonical SMILES for 2-(4,5-diaminopyrazol-1-yl)ethanol;sulfuric acid is Nc1cnn(CCO)c1N.O=S(=O)(O)O.
What is the InChIKey of 2-(4,5-diaminopyrazol-1-yl)ethanol;sulfuric acid?
The InChIKey is IBCDZZHMNXXYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4O.H2O4S/c6-4-3-8-9(1-2-10)5(4)7;1-5(2,3)4/h3,10H,1-2,6-7H2;(H2,1,2,3,4).
What are the key properties of 2-(4,5-diaminopyrazol-1-yl)ethanol;sulfuric acid?
2-(4,5-diaminopyrazol-1-yl)ethanol;sulfuric acid has a molecular weight of 240.24 g/mol, XLogP of -1.61, 2 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-diaminopyrazol-1-yl)ethanol;sulfuric acid is sourced from PubChem (CID 11673148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).