5-amino-N-methylpyrazole-1-carbothioamide

C5H8N4S — CID 10678479

IUPAC5-amino-N-methylpyrazole-1-carbothioamide
SMILESCNC(=S)n1nccc1N
InChIInChI=1S/C5H8N4S/c1-7-5(10)9-4(6)2-3-8-9/h2-3H,6H2,1H3,(H,7,10)
InChIKeyMCOXWEAJFABGOZ-UHFFFAOYSA-N
MW156.21 g/mol
LogP-0.18
Rot. Bonds

About 5-amino-N-methylpyrazole-1-carbothioamide

5-amino-N-methylpyrazole-1-carbothioamide (PubChem CID 10678479) has the molecular formula C5H8N4S and a molecular weight of 156.21 g/mol. Its IUPAC name is 5-amino-N-methylpyrazole-1-carbothioamide.

Molecular Properties

Compound Name5-amino-N-methylpyrazole-1-carbothioamide
PubChem CID10678479
Molecular FormulaC5H8N4S
Molecular Weight156.21 g/mol
Exact Mass156.05
IUPAC Name5-amino-N-methylpyrazole-1-carbothioamide
SMILESCNC(=S)n1nccc1N
InChIInChI=1S/C5H8N4S/c1-7-5(10)9-4(6)2-3-8-9/h2-3H,6H2,1H3,(H,7,10)
InChIKeyMCOXWEAJFABGOZ-UHFFFAOYSA-N
XLogP-0.18
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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1-Propyl-1H-pyrazol-5-amine
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5-Isothiocyanato-1-methyl-1H-pyrazole
CID 14252762
N,1-dimethyl-1H-pyrazol-5-amine
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N-ethyl-1-methyl-1H-pyrazol-3-amine
CID 60809330
N-methyl-1-(propan-2-yl)-1H-pyrazol-5-amine
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N,1-dimethyl-1H-pyrazol-3-amine hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-methylpyrazole-1-carbothioamide?
The IUPAC name of 5-amino-N-methylpyrazole-1-carbothioamide (CID 10678479) is 5-amino-N-methylpyrazole-1-carbothioamide.
What is the SMILES notation for 5-amino-N-methylpyrazole-1-carbothioamide?
The canonical SMILES for 5-amino-N-methylpyrazole-1-carbothioamide is CNC(=S)n1nccc1N.
What is the InChIKey of 5-amino-N-methylpyrazole-1-carbothioamide?
The InChIKey is MCOXWEAJFABGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4S/c1-7-5(10)9-4(6)2-3-8-9/h2-3H,6H2,1H3,(H,7,10).
What are the key properties of 5-amino-N-methylpyrazole-1-carbothioamide?
5-amino-N-methylpyrazole-1-carbothioamide has a molecular weight of 156.21 g/mol, XLogP of -0.18, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-methylpyrazole-1-carbothioamide is sourced from PubChem (CID 10678479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).