1H-pyrazole-5-carbothiohydrazide

C4H6N4S — CID 54470099

IUPAC1H-pyrazole-5-carbothiohydrazide
SMILESNNC(=S)c1ccn[nH]1
InChIInChI=1S/C4H6N4S/c5-7-4(9)3-1-2-6-8-3/h1-2H,5H2,(H,6,8)(H,7,9)
InChIKeyXHSQIQKIPFBTSA-UHFFFAOYSA-N
MW142.19 g/mol
LogP-0.45
Rot. Bonds1

About 1H-pyrazole-5-carbothiohydrazide

1H-pyrazole-5-carbothiohydrazide (PubChem CID 54470099) has the molecular formula C4H6N4S and a molecular weight of 142.19 g/mol. Its IUPAC name is 1H-pyrazole-5-carbothiohydrazide.

Molecular Properties

Compound Name1H-pyrazole-5-carbothiohydrazide
PubChem CID54470099
Molecular FormulaC4H6N4S
Molecular Weight142.19 g/mol
Exact Mass142.03
IUPAC Name1H-pyrazole-5-carbothiohydrazide
SMILESNNC(=S)c1ccn[nH]1
InChIInChI=1S/C4H6N4S/c5-7-4(9)3-1-2-6-8-3/h1-2H,5H2,(H,6,8)(H,7,9)
InChIKeyXHSQIQKIPFBTSA-UHFFFAOYSA-N
XLogP-0.45
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.19
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1H-pyrazole-5-carbothiohydrazide?
The IUPAC name of 1H-pyrazole-5-carbothiohydrazide (CID 54470099) is 1H-pyrazole-5-carbothiohydrazide.
What is the SMILES notation for 1H-pyrazole-5-carbothiohydrazide?
The canonical SMILES for 1H-pyrazole-5-carbothiohydrazide is NNC(=S)c1ccn[nH]1.
What is the InChIKey of 1H-pyrazole-5-carbothiohydrazide?
The InChIKey is XHSQIQKIPFBTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4S/c5-7-4(9)3-1-2-6-8-3/h1-2H,5H2,(H,6,8)(H,7,9).
What are the key properties of 1H-pyrazole-5-carbothiohydrazide?
1H-pyrazole-5-carbothiohydrazide has a molecular weight of 142.19 g/mol, XLogP of -0.45, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrazole-5-carbothiohydrazide is sourced from PubChem (CID 54470099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).