1-(4-chlorophenyl)pyrazole-4,5-diamine;sulfuric acid

C9H11ClN4O4S — CID 69435361

IUPAC1-(4-chlorophenyl)pyrazole-4,5-diamine;sulfuric acid
SMILESNc1cnn(-c2ccc(Cl)cc2)c1N.O=S(=O)(O)O
InChIInChI=1S/C9H9ClN4.H2O4S/c10-6-1-3-7(4-2-6)14-9(12)8(11)5-13-14;1-5(2,3)4/h1-5H,11-12H2;(H2,1,2,3,4)
InChIKeySKDURFIQELMAKV-UHFFFAOYSA-N
MW306.73 g/mol
LogP1.04
Rot. Bonds1

About 1-(4-chlorophenyl)pyrazole-4,5-diamine;sulfuric acid

1-(4-chlorophenyl)pyrazole-4,5-diamine;sulfuric acid (PubChem CID 69435361) has the molecular formula C9H11ClN4O4S and a molecular weight of 306.73 g/mol. Its IUPAC name is 1-(4-chlorophenyl)pyrazole-4,5-diamine;sulfuric acid.

Molecular Properties

Compound Name1-(4-chlorophenyl)pyrazole-4,5-diamine;sulfuric acid
PubChem CID69435361
Molecular FormulaC9H11ClN4O4S
Molecular Weight306.73 g/mol
Exact Mass306.02
IUPAC Name1-(4-chlorophenyl)pyrazole-4,5-diamine;sulfuric acid
SMILESNc1cnn(-c2ccc(Cl)cc2)c1N.O=S(=O)(O)O
InChIInChI=1S/C9H9ClN4.H2O4S/c10-6-1-3-7(4-2-6)14-9(12)8(11)5-13-14;1-5(2,3)4/h1-5H,11-12H2;(H2,1,2,3,4)
InChIKeySKDURFIQELMAKV-UHFFFAOYSA-N
XLogP1.04
TPSA144.46 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.73
LogP ≤ 51.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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 1-(4-chlorophenyl)pyrazole-4,5-diamine;sulfuric acid?
The IUPAC name of 1-(4-chlorophenyl)pyrazole-4,5-diamine;sulfuric acid (CID 69435361) is 1-(4-chlorophenyl)pyrazole-4,5-diamine;sulfuric acid.
What is the SMILES notation for 1-(4-chlorophenyl)pyrazole-4,5-diamine;sulfuric acid?
The canonical SMILES for 1-(4-chlorophenyl)pyrazole-4,5-diamine;sulfuric acid is Nc1cnn(-c2ccc(Cl)cc2)c1N.O=S(=O)(O)O.
What is the InChIKey of 1-(4-chlorophenyl)pyrazole-4,5-diamine;sulfuric acid?
The InChIKey is SKDURFIQELMAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4.H2O4S/c10-6-1-3-7(4-2-6)14-9(12)8(11)5-13-14;1-5(2,3)4/h1-5H,11-12H2;(H2,1,2,3,4).
What are the key properties of 1-(4-chlorophenyl)pyrazole-4,5-diamine;sulfuric acid?
1-(4-chlorophenyl)pyrazole-4,5-diamine;sulfuric acid has a molecular weight of 306.73 g/mol, XLogP of 1.04, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)pyrazole-4,5-diamine;sulfuric acid is sourced from PubChem (CID 69435361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).