5-amino-N-methyl-1H-pyrazole-4-carbothioamide

C5H8N4S — CID 10534918

IUPAC5-amino-N-methyl-1H-pyrazole-4-carbothioamide
SMILESCNC(=S)c1cn[nH]c1N
InChIInChI=1S/C5H8N4S/c1-7-5(10)3-2-8-9-4(3)6/h2H,1H3,(H,7,10)(H3,6,8,9)
InChIKeyIYPJVZZHXZLOKX-UHFFFAOYSA-N
MW156.21 g/mol
LogP-0.11
Rot. Bonds1

About 5-amino-N-methyl-1H-pyrazole-4-carbothioamide

5-amino-N-methyl-1H-pyrazole-4-carbothioamide (PubChem CID 10534918) has the molecular formula C5H8N4S and a molecular weight of 156.21 g/mol. Its IUPAC name is 5-amino-N-methyl-1H-pyrazole-4-carbothioamide.

Molecular Properties

Compound Name5-amino-N-methyl-1H-pyrazole-4-carbothioamide
PubChem CID10534918
Molecular FormulaC5H8N4S
Molecular Weight156.21 g/mol
Exact Mass156.05
IUPAC Name5-amino-N-methyl-1H-pyrazole-4-carbothioamide
SMILESCNC(=S)c1cn[nH]c1N
InChIInChI=1S/C5H8N4S/c1-7-5(10)3-2-8-9-4(3)6/h2H,1H3,(H,7,10)(H3,6,8,9)
InChIKeyIYPJVZZHXZLOKX-UHFFFAOYSA-N
XLogP-0.11
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 5-amino-N-methyl-1H-pyrazole-4-carbothioamide?
The IUPAC name of 5-amino-N-methyl-1H-pyrazole-4-carbothioamide (CID 10534918) is 5-amino-N-methyl-1H-pyrazole-4-carbothioamide.
What is the SMILES notation for 5-amino-N-methyl-1H-pyrazole-4-carbothioamide?
The canonical SMILES for 5-amino-N-methyl-1H-pyrazole-4-carbothioamide is CNC(=S)c1cn[nH]c1N.
What is the InChIKey of 5-amino-N-methyl-1H-pyrazole-4-carbothioamide?
The InChIKey is IYPJVZZHXZLOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4S/c1-7-5(10)3-2-8-9-4(3)6/h2H,1H3,(H,7,10)(H3,6,8,9).
What are the key properties of 5-amino-N-methyl-1H-pyrazole-4-carbothioamide?
5-amino-N-methyl-1H-pyrazole-4-carbothioamide has a molecular weight of 156.21 g/mol, XLogP of -0.11, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-methyl-1H-pyrazole-4-carbothioamide is sourced from PubChem (CID 10534918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).