1-propan-2-ylpyrazole-4,5-diamine;sulfuric acid

C6H14N4O4S — CID 18541936

IUPAC1-propan-2-ylpyrazole-4,5-diamine;sulfuric acid
SMILESCC(C)n1ncc(N)c1N.O=S(=O)(O)O
InChIInChI=1S/C6H12N4.H2O4S/c1-4(2)10-6(8)5(7)3-9-10;1-5(2,3)4/h3-4H,7-8H2,1-2H3;(H2,1,2,3,4)
InChIKeyVKGPVOKDWZAKKE-UHFFFAOYSA-N
MW238.27 g/mol
LogP-0.02
Rot. Bonds1

About 1-propan-2-ylpyrazole-4,5-diamine;sulfuric acid

1-propan-2-ylpyrazole-4,5-diamine;sulfuric acid (PubChem CID 18541936) has the molecular formula C6H14N4O4S and a molecular weight of 238.27 g/mol. Its IUPAC name is 1-propan-2-ylpyrazole-4,5-diamine;sulfuric acid.

Molecular Properties

Compound Name1-propan-2-ylpyrazole-4,5-diamine;sulfuric acid
PubChem CID18541936
Molecular FormulaC6H14N4O4S
Molecular Weight238.27 g/mol
Exact Mass238.07
IUPAC Name1-propan-2-ylpyrazole-4,5-diamine;sulfuric acid
SMILESCC(C)n1ncc(N)c1N.O=S(=O)(O)O
InChIInChI=1S/C6H12N4.H2O4S/c1-4(2)10-6(8)5(7)3-9-10;1-5(2,3)4/h3-4H,7-8H2,1-2H3;(H2,1,2,3,4)
InChIKeyVKGPVOKDWZAKKE-UHFFFAOYSA-N
XLogP-0.02
TPSA144.46 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 5-0.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-propan-2-ylpyrazole-4,5-diamine;sulfuric 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

4,5-Diamino-1-(2-hydroxyethyl)pyrazole sulfate
CID 11673148
1H-Pyrazole, 4,5-diamine-1-methyl-, sulfate (1:1)
CID 21904571
1-Hexyl 4,5-diamino pyrazole sulfate
CID 91936919
1-methyl-1H-pyrazole-4,5-diamine hydrochloride
CID 68601034
1-Methyl-1H-pyrazole-4,5-diamine
CID 10290764
2-(4,5-Diamino-1H-pyrazol-1-yl)ethan-1-ol
CID 10290847
1-Ethyl-4-nitrosopyrazol-5-amine;hydrochloride
CID 353773
1-ethyl-4-nitroso-1H-pyrazol-5-amine
CID 353774
1-Ethyl-1H-pyrazole-3,4-diamine
CID 66509601
1-Methyl-1H-pyrazole-4,5-diamine dihydrochloride
CID 13525020
1-methyl-1H-pyrazole-3,4-diamine
CID 15166013
1-(2-Fluoroethyl)-1H-pyrazole-4,5-diamine
CID 21904539

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-ylpyrazole-4,5-diamine;sulfuric acid?
The IUPAC name of 1-propan-2-ylpyrazole-4,5-diamine;sulfuric acid (CID 18541936) is 1-propan-2-ylpyrazole-4,5-diamine;sulfuric acid.
What is the SMILES notation for 1-propan-2-ylpyrazole-4,5-diamine;sulfuric acid?
The canonical SMILES for 1-propan-2-ylpyrazole-4,5-diamine;sulfuric acid is CC(C)n1ncc(N)c1N.O=S(=O)(O)O.
What is the InChIKey of 1-propan-2-ylpyrazole-4,5-diamine;sulfuric acid?
The InChIKey is VKGPVOKDWZAKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4.H2O4S/c1-4(2)10-6(8)5(7)3-9-10;1-5(2,3)4/h3-4H,7-8H2,1-2H3;(H2,1,2,3,4).
What are the key properties of 1-propan-2-ylpyrazole-4,5-diamine;sulfuric acid?
1-propan-2-ylpyrazole-4,5-diamine;sulfuric acid has a molecular weight of 238.27 g/mol, XLogP of -0.02, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-ylpyrazole-4,5-diamine;sulfuric acid is sourced from PubChem (CID 18541936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).