4-amino-2-ethyl-1H-pyrazol-3-one;sulfuric acid

C5H11N3O5S — CID 69362706

IUPAC4-amino-2-ethyl-1H-pyrazol-3-one;sulfuric acid
SMILESCCn1[nH]cc(N)c1=O.O=S(=O)(O)O
InChIInChI=1S/C5H9N3O.H2O4S/c1-2-8-5(9)4(6)3-7-8;1-5(2,3)4/h3,7H,2,6H2,1H3;(H2,1,2,3,4)
InChIKeyYXJHDYZQIYPEPD-UHFFFAOYSA-N
MW225.23 g/mol
LogP-0.87
Rot. Bonds1

About 4-amino-2-ethyl-1H-pyrazol-3-one;sulfuric acid

4-amino-2-ethyl-1H-pyrazol-3-one;sulfuric acid (PubChem CID 69362706) has the molecular formula C5H11N3O5S and a molecular weight of 225.23 g/mol. Its IUPAC name is 4-amino-2-ethyl-1H-pyrazol-3-one;sulfuric acid.

Molecular Properties

Compound Name4-amino-2-ethyl-1H-pyrazol-3-one;sulfuric acid
PubChem CID69362706
Molecular FormulaC5H11N3O5S
Molecular Weight225.23 g/mol
Exact Mass225.04
IUPAC Name4-amino-2-ethyl-1H-pyrazol-3-one;sulfuric acid
SMILESCCn1[nH]cc(N)c1=O.O=S(=O)(O)O
InChIInChI=1S/C5H9N3O.H2O4S/c1-2-8-5(9)4(6)3-7-8;1-5(2,3)4/h3,7H,2,6H2,1H3;(H2,1,2,3,4)
InChIKeyYXJHDYZQIYPEPD-UHFFFAOYSA-N
XLogP-0.87
TPSA138.41 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.23
LogP ≤ 5-0.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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 4-amino-2-ethyl-1H-pyrazol-3-one;sulfuric acid?
The IUPAC name of 4-amino-2-ethyl-1H-pyrazol-3-one;sulfuric acid (CID 69362706) is 4-amino-2-ethyl-1H-pyrazol-3-one;sulfuric acid.
What is the SMILES notation for 4-amino-2-ethyl-1H-pyrazol-3-one;sulfuric acid?
The canonical SMILES for 4-amino-2-ethyl-1H-pyrazol-3-one;sulfuric acid is CCn1[nH]cc(N)c1=O.O=S(=O)(O)O.
What is the InChIKey of 4-amino-2-ethyl-1H-pyrazol-3-one;sulfuric acid?
The InChIKey is YXJHDYZQIYPEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O.H2O4S/c1-2-8-5(9)4(6)3-7-8;1-5(2,3)4/h3,7H,2,6H2,1H3;(H2,1,2,3,4).
What are the key properties of 4-amino-2-ethyl-1H-pyrazol-3-one;sulfuric acid?
4-amino-2-ethyl-1H-pyrazol-3-one;sulfuric acid has a molecular weight of 225.23 g/mol, XLogP of -0.87, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-ethyl-1H-pyrazol-3-one;sulfuric acid is sourced from PubChem (CID 69362706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).