1-[2-(2,5-dimethylpyrazol-3-yl)sulfanylacetyl]piperidine-4-carbohydrazide

C13H21N5O2S — CID 63580535

IUPAC1-[2-(2,5-dimethylpyrazol-3-yl)sulfanylacetyl]piperidine-4-carbohydrazide
SMILESCc1cc(SCC(=O)N2CCC(C(=O)NN)CC2)n(C)n1
InChIInChI=1S/C13H21N5O2S/c1-9-7-12(17(2)16-9)21-8-11(19)18-5-3-10(4-6-18)13(20)15-14/h7,10H,3-6,8,14H2,1-2H3,(H,15,20)
InChIKeyVBIZDEDAUCJTDG-UHFFFAOYSA-N
MW311.41 g/mol
LogP0.05
Rot. Bonds4

About 1-[2-(2,5-dimethylpyrazol-3-yl)sulfanylacetyl]piperidine-4-carbohydrazide

1-[2-(2,5-dimethylpyrazol-3-yl)sulfanylacetyl]piperidine-4-carbohydrazide (PubChem CID 63580535) has the molecular formula C13H21N5O2S and a molecular weight of 311.41 g/mol. Its IUPAC name is 1-[2-(2,5-dimethylpyrazol-3-yl)sulfanylacetyl]piperidine-4-carbohydrazide.

Molecular Properties

Compound Name1-[2-(2,5-dimethylpyrazol-3-yl)sulfanylacetyl]piperidine-4-carbohydrazide
PubChem CID63580535
Molecular FormulaC13H21N5O2S
Molecular Weight311.41 g/mol
Exact Mass311.14
IUPAC Name1-[2-(2,5-dimethylpyrazol-3-yl)sulfanylacetyl]piperidine-4-carbohydrazide
SMILESCc1cc(SCC(=O)N2CCC(C(=O)NN)CC2)n(C)n1
InChIInChI=1S/C13H21N5O2S/c1-9-7-12(17(2)16-9)21-8-11(19)18-5-3-10(4-6-18)13(20)15-14/h7,10H,3-6,8,14H2,1-2H3,(H,15,20)
InChIKeyVBIZDEDAUCJTDG-UHFFFAOYSA-N
XLogP0.05
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 50.05
H-Bond Donors ≤ 52
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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Related Compounds

1-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-4-carbohydrazide
CID 63581531
1-[2-(5-methylpyrimidin-2-yl)sulfanylacetyl]piperidine-4-carbohydrazide
CID 63590293
1-[2-(2-methylfuran-3-yl)sulfanylacetyl]piperidine-4-carbohydrazide
CID 107782874
1-[2-(2-fluorophenyl)sulfanylacetyl]piperidine-4-carbohydrazide
CID 63581145
ethyl 1-[3-[(2,5-dimethylpyrazole-3-carbonyl)amino]propanoyl]piperidine-4-carboxylate
CID 91945943
ethyl 5-(2,5-dimethylpyrazol-3-yl)sulfanyl-4-oxopentanoate
CID 103485728
1-[2-(3,5-dimethylphenoxy)acetyl]piperidine-4-carbohydrazide
CID 54794164
1-[2-(3-methylbutan-2-ylsulfanyl)acetyl]piperidine-4-carbohydrazide
CID 107760970
1-[2-(4-methylpyrazol-1-yl)acetyl]piperidine-4-carbohydrazide
CID 55213875
2-amino-2-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)sulfanylpropanamide
CID 63918686
1-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetyl]piperidine-4-carbohydrazide
CID 63577626
1-[2-(3,4-dimethylphenoxy)acetyl]piperidine-4-carbohydrazide
CID 54794063

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dimethylpyrazol-3-yl)sulfanylacetyl]piperidine-4-carbohydrazide?
The IUPAC name of 1-[2-(2,5-dimethylpyrazol-3-yl)sulfanylacetyl]piperidine-4-carbohydrazide (CID 63580535) is 1-[2-(2,5-dimethylpyrazol-3-yl)sulfanylacetyl]piperidine-4-carbohydrazide.
What is the SMILES notation for 1-[2-(2,5-dimethylpyrazol-3-yl)sulfanylacetyl]piperidine-4-carbohydrazide?
The canonical SMILES for 1-[2-(2,5-dimethylpyrazol-3-yl)sulfanylacetyl]piperidine-4-carbohydrazide is Cc1cc(SCC(=O)N2CCC(C(=O)NN)CC2)n(C)n1.
What is the InChIKey of 1-[2-(2,5-dimethylpyrazol-3-yl)sulfanylacetyl]piperidine-4-carbohydrazide?
The InChIKey is VBIZDEDAUCJTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2S/c1-9-7-12(17(2)16-9)21-8-11(19)18-5-3-10(4-6-18)13(20)15-14/h7,10H,3-6,8,14H2,1-2H3,(H,15,20).
What are the key properties of 1-[2-(2,5-dimethylpyrazol-3-yl)sulfanylacetyl]piperidine-4-carbohydrazide?
1-[2-(2,5-dimethylpyrazol-3-yl)sulfanylacetyl]piperidine-4-carbohydrazide has a molecular weight of 311.41 g/mol, XLogP of 0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dimethylpyrazol-3-yl)sulfanylacetyl]piperidine-4-carbohydrazide is sourced from PubChem (CID 63580535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).