5-amino-1-methyl-3-methylsulfanylpyrazole-4-carbohydrazide

C6H11N5OS — CID 45116772

IUPAC5-amino-1-methyl-3-methylsulfanylpyrazole-4-carbohydrazide
SMILESCSc1nn(C)c(N)c1C(=O)NN
InChIInChI=1S/C6H11N5OS/c1-11-4(7)3(5(12)9-8)6(10-11)13-2/h7-8H2,1-2H3,(H,9,12)
InChIKeyYSMUCORFDJCJMM-UHFFFAOYSA-N
MW201.25 g/mol
LogP-0.67
Rot. Bonds2

About 5-amino-1-methyl-3-methylsulfanylpyrazole-4-carbohydrazide

5-amino-1-methyl-3-methylsulfanylpyrazole-4-carbohydrazide (PubChem CID 45116772) has the molecular formula C6H11N5OS and a molecular weight of 201.25 g/mol. Its IUPAC name is 5-amino-1-methyl-3-methylsulfanylpyrazole-4-carbohydrazide.

Molecular Properties

Compound Name5-amino-1-methyl-3-methylsulfanylpyrazole-4-carbohydrazide
PubChem CID45116772
Molecular FormulaC6H11N5OS
Molecular Weight201.25 g/mol
Exact Mass201.07
IUPAC Name5-amino-1-methyl-3-methylsulfanylpyrazole-4-carbohydrazide
SMILESCSc1nn(C)c(N)c1C(=O)NN
InChIInChI=1S/C6H11N5OS/c1-11-4(7)3(5(12)9-8)6(10-11)13-2/h7-8H2,1-2H3,(H,9,12)
InChIKeyYSMUCORFDJCJMM-UHFFFAOYSA-N
XLogP-0.67
TPSA98.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-methyl-3-methylsulfanylpyrazole-4-carbohydrazide?
The IUPAC name of 5-amino-1-methyl-3-methylsulfanylpyrazole-4-carbohydrazide (CID 45116772) is 5-amino-1-methyl-3-methylsulfanylpyrazole-4-carbohydrazide.
What is the SMILES notation for 5-amino-1-methyl-3-methylsulfanylpyrazole-4-carbohydrazide?
The canonical SMILES for 5-amino-1-methyl-3-methylsulfanylpyrazole-4-carbohydrazide is CSc1nn(C)c(N)c1C(=O)NN.
What is the InChIKey of 5-amino-1-methyl-3-methylsulfanylpyrazole-4-carbohydrazide?
The InChIKey is YSMUCORFDJCJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5OS/c1-11-4(7)3(5(12)9-8)6(10-11)13-2/h7-8H2,1-2H3,(H,9,12).
What are the key properties of 5-amino-1-methyl-3-methylsulfanylpyrazole-4-carbohydrazide?
5-amino-1-methyl-3-methylsulfanylpyrazole-4-carbohydrazide has a molecular weight of 201.25 g/mol, XLogP of -0.67, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-methyl-3-methylsulfanylpyrazole-4-carbohydrazide is sourced from PubChem (CID 45116772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).