6-pyrazol-1-ylpyridine-3-carbothioamide

C9H8N4S — CID 24709934

IUPAC6-pyrazol-1-ylpyridine-3-carbothioamide
SMILESNC(=S)c1ccc(-n2cccn2)nc1
InChIInChI=1S/C9H8N4S/c10-9(14)7-2-3-8(11-6-7)13-5-1-4-12-13/h1-6H,(H2,10,14)
InChIKeyMHASKNVAAZGDID-UHFFFAOYSA-N
MW204.26 g/mol
LogP0.90
Rot. Bonds2

About 6-pyrazol-1-ylpyridine-3-carbothioamide

6-pyrazol-1-ylpyridine-3-carbothioamide (PubChem CID 24709934) has the molecular formula C9H8N4S and a molecular weight of 204.26 g/mol. Its IUPAC name is 6-pyrazol-1-ylpyridine-3-carbothioamide.

Molecular Properties

Compound Name6-pyrazol-1-ylpyridine-3-carbothioamide
PubChem CID24709934
Molecular FormulaC9H8N4S
Molecular Weight204.26 g/mol
Exact Mass204.05
IUPAC Name6-pyrazol-1-ylpyridine-3-carbothioamide
SMILESNC(=S)c1ccc(-n2cccn2)nc1
InChIInChI=1S/C9H8N4S/c10-9(14)7-2-3-8(11-6-7)13-5-1-4-12-13/h1-6H,(H2,10,14)
InChIKeyMHASKNVAAZGDID-UHFFFAOYSA-N
XLogP0.90
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.26
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-pyrazol-1-ylpyridine-3-carbothioamide?
The IUPAC name of 6-pyrazol-1-ylpyridine-3-carbothioamide (CID 24709934) is 6-pyrazol-1-ylpyridine-3-carbothioamide.
What is the SMILES notation for 6-pyrazol-1-ylpyridine-3-carbothioamide?
The canonical SMILES for 6-pyrazol-1-ylpyridine-3-carbothioamide is NC(=S)c1ccc(-n2cccn2)nc1.
What is the InChIKey of 6-pyrazol-1-ylpyridine-3-carbothioamide?
The InChIKey is MHASKNVAAZGDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4S/c10-9(14)7-2-3-8(11-6-7)13-5-1-4-12-13/h1-6H,(H2,10,14).
What are the key properties of 6-pyrazol-1-ylpyridine-3-carbothioamide?
6-pyrazol-1-ylpyridine-3-carbothioamide has a molecular weight of 204.26 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyrazol-1-ylpyridine-3-carbothioamide is sourced from PubChem (CID 24709934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).