[(1,1-dioxothiolan-3-yl)-(2-propylpyrazol-3-yl)methyl]hydrazine

C11H20N4O2S — CID 105258804

IUPAC[(1,1-dioxothiolan-3-yl)-(2-propylpyrazol-3-yl)methyl]hydrazine
SMILESCCCn1nccc1C(NN)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H20N4O2S/c1-2-6-15-10(3-5-13-15)11(14-12)9-4-7-18(16,17)8-9/h3,5,9,11,14H,2,4,6-8,12H2,1H3
InChIKeyTXYIFASGIKLIBG-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.23
Rot. Bonds5

About [(1,1-dioxothiolan-3-yl)-(2-propylpyrazol-3-yl)methyl]hydrazine

[(1,1-dioxothiolan-3-yl)-(2-propylpyrazol-3-yl)methyl]hydrazine (PubChem CID 105258804) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is [(1,1-dioxothiolan-3-yl)-(2-propylpyrazol-3-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(1,1-dioxothiolan-3-yl)-(2-propylpyrazol-3-yl)methyl]hydrazine
PubChem CID105258804
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC Name[(1,1-dioxothiolan-3-yl)-(2-propylpyrazol-3-yl)methyl]hydrazine
SMILESCCCn1nccc1C(NN)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H20N4O2S/c1-2-6-15-10(3-5-13-15)11(14-12)9-4-7-18(16,17)8-9/h3,5,9,11,14H,2,4,6-8,12H2,1H3
InChIKeyTXYIFASGIKLIBG-UHFFFAOYSA-N
XLogP0.23
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[(3-ethylcyclopentyl)-(2-propylpyrazol-3-yl)methyl]hydrazine
CID 105233440
[2-cyclopropyl-1-(2-propylpyrazol-3-yl)ethyl]hydrazine
CID 105254012
[(2-methylcyclopropyl)-(2-propylpyrazol-3-yl)methyl]hydrazine
CID 105234801
1-(1,1-dioxothiolan-3-yl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine
CID 115336746
[2-cyclopentyl-1-(2-propylpyrazol-3-yl)ethyl]hydrazine
CID 105307026
[(2-propylpyrazol-3-yl)-[3-(trifluoromethyl)cyclohexyl]methyl]hydrazine
CID 105307031
[(2-propylpyrazol-3-yl)-(thiolan-2-yl)methyl]hydrazine
CID 105255341
[(3-methyl-1,4-dithian-2-yl)-(2-propylpyrazol-3-yl)methyl]hydrazine
CID 105259494
1-(1,1-dioxothiolan-3-yl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 114659431
N-[cyclooctyl-(2-propylpyrazol-3-yl)methyl]ethanamine
CID 80603885
N-methyl-1-(2-propylpyrazol-3-yl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105148223
[2-(1,1-dioxothiolan-3-yl)-1-(2-methylpyrazol-3-yl)ethyl]hydrazine
CID 105307419

Frequently Asked Questions

What is the IUPAC name of [(1,1-dioxothiolan-3-yl)-(2-propylpyrazol-3-yl)methyl]hydrazine?
The IUPAC name of [(1,1-dioxothiolan-3-yl)-(2-propylpyrazol-3-yl)methyl]hydrazine (CID 105258804) is [(1,1-dioxothiolan-3-yl)-(2-propylpyrazol-3-yl)methyl]hydrazine.
What is the SMILES notation for [(1,1-dioxothiolan-3-yl)-(2-propylpyrazol-3-yl)methyl]hydrazine?
The canonical SMILES for [(1,1-dioxothiolan-3-yl)-(2-propylpyrazol-3-yl)methyl]hydrazine is CCCn1nccc1C(NN)C1CCS(=O)(=O)C1.
What is the InChIKey of [(1,1-dioxothiolan-3-yl)-(2-propylpyrazol-3-yl)methyl]hydrazine?
The InChIKey is TXYIFASGIKLIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-2-6-15-10(3-5-13-15)11(14-12)9-4-7-18(16,17)8-9/h3,5,9,11,14H,2,4,6-8,12H2,1H3.
What are the key properties of [(1,1-dioxothiolan-3-yl)-(2-propylpyrazol-3-yl)methyl]hydrazine?
[(1,1-dioxothiolan-3-yl)-(2-propylpyrazol-3-yl)methyl]hydrazine has a molecular weight of 272.37 g/mol, XLogP of 0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1,1-dioxothiolan-3-yl)-(2-propylpyrazol-3-yl)methyl]hydrazine is sourced from PubChem (CID 105258804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).