(E)-1H-pyrazol-5-yliminothiourea

C4H5N5S — CID 137219744

IUPAC(E)-1H-pyrazol-5-yliminothiourea
SMILESNC(=S)/N=N/c1ccn[nH]1
InChIInChI=1S/C4H5N5S/c5-4(10)9-8-3-1-2-6-7-3/h1-2H,(H2,5,10)(H,6,7)/b9-8+
InChIKeyQZIRNPUWVOIRPY-CMDGGOBGSA-N
MW155.19 g/mol
LogP0.74
Rot. Bonds1

About (E)-1H-pyrazol-5-yliminothiourea

(E)-1H-pyrazol-5-yliminothiourea (PubChem CID 137219744) has the molecular formula C4H5N5S and a molecular weight of 155.19 g/mol. Its IUPAC name is (E)-1H-pyrazol-5-yliminothiourea.

Molecular Properties

Compound Name(E)-1H-pyrazol-5-yliminothiourea
PubChem CID137219744
Molecular FormulaC4H5N5S
Molecular Weight155.19 g/mol
Exact Mass155.03
IUPAC Name(E)-1H-pyrazol-5-yliminothiourea
SMILESNC(=S)/N=N/c1ccn[nH]1
InChIInChI=1S/C4H5N5S/c5-4(10)9-8-3-1-2-6-7-3/h1-2H,(H2,5,10)(H,6,7)/b9-8+
InChIKeyQZIRNPUWVOIRPY-CMDGGOBGSA-N
XLogP0.74
TPSA79.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.19
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze (E)-1H-pyrazol-5-yliminothiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-1H-pyrazol-5-yliminothiourea?
The IUPAC name of (E)-1H-pyrazol-5-yliminothiourea (CID 137219744) is (E)-1H-pyrazol-5-yliminothiourea.
What is the SMILES notation for (E)-1H-pyrazol-5-yliminothiourea?
The canonical SMILES for (E)-1H-pyrazol-5-yliminothiourea is NC(=S)/N=N/c1ccn[nH]1.
What is the InChIKey of (E)-1H-pyrazol-5-yliminothiourea?
The InChIKey is QZIRNPUWVOIRPY-CMDGGOBGSA-N. The full InChI is InChI=1S/C4H5N5S/c5-4(10)9-8-3-1-2-6-7-3/h1-2H,(H2,5,10)(H,6,7)/b9-8+.
What are the key properties of (E)-1H-pyrazol-5-yliminothiourea?
(E)-1H-pyrazol-5-yliminothiourea has a molecular weight of 155.19 g/mol, XLogP of 0.74, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1H-pyrazol-5-yliminothiourea is sourced from PubChem (CID 137219744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).