[2-(1,1-dioxothiolan-3-yl)-1-(2-methylpyrazol-3-yl)ethyl]hydrazine

C10H18N4O2S — CID 105307419

IUPAC[2-(1,1-dioxothiolan-3-yl)-1-(2-methylpyrazol-3-yl)ethyl]hydrazine
SMILESCn1nccc1C(CC1CCS(=O)(=O)C1)NN
InChIInChI=1S/C10H18N4O2S/c1-14-10(2-4-12-14)9(13-11)6-8-3-5-17(15,16)7-8/h2,4,8-9,13H,3,5-7,11H2,1H3
InChIKeyBYHVJESXRKLRPY-UHFFFAOYSA-N
MW258.35 g/mol
LogP-0.25
Rot. Bonds4

About [2-(1,1-dioxothiolan-3-yl)-1-(2-methylpyrazol-3-yl)ethyl]hydrazine

[2-(1,1-dioxothiolan-3-yl)-1-(2-methylpyrazol-3-yl)ethyl]hydrazine (PubChem CID 105307419) has the molecular formula C10H18N4O2S and a molecular weight of 258.35 g/mol. Its IUPAC name is [2-(1,1-dioxothiolan-3-yl)-1-(2-methylpyrazol-3-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(1,1-dioxothiolan-3-yl)-1-(2-methylpyrazol-3-yl)ethyl]hydrazine
PubChem CID105307419
Molecular FormulaC10H18N4O2S
Molecular Weight258.35 g/mol
Exact Mass258.12
IUPAC Name[2-(1,1-dioxothiolan-3-yl)-1-(2-methylpyrazol-3-yl)ethyl]hydrazine
SMILESCn1nccc1C(CC1CCS(=O)(=O)C1)NN
InChIInChI=1S/C10H18N4O2S/c1-14-10(2-4-12-14)9(13-11)6-8-3-5-17(15,16)7-8/h2,4,8-9,13H,3,5-7,11H2,1H3
InChIKeyBYHVJESXRKLRPY-UHFFFAOYSA-N
XLogP-0.25
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 5-0.25
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

2-(1,1-dioxothiolan-3-yl)-1-(2-methylpyrazol-3-yl)ethanamine
CID 105148582
2-cyclopentyl-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 115858828
[1-(2,5-dimethylphenyl)-2-(1,1-dioxothiolan-3-yl)ethyl]hydrazine
CID 105292536
[2-(1,1-dioxothiolan-3-yl)-1-(4-ethylphenyl)ethyl]hydrazine
CID 105292845
1-(1,1-dioxothiolan-3-yl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine
CID 115336746
1-(2-methylpyrazol-3-yl)propylhydrazine
CID 105200909
[2-cyclopropyl-1-(2-propylpyrazol-3-yl)ethyl]hydrazine
CID 105254012
[1-(2,4-dimethylphenyl)-2-(1,1-dioxothiolan-3-yl)ethyl]hydrazine
CID 105304658
[2-cyclopentyl-1-(2-propylpyrazol-3-yl)ethyl]hydrazine
CID 105307026
[(1,1-dioxothiolan-3-yl)-(2-propylpyrazol-3-yl)methyl]hydrazine
CID 105258804
[2-(1,1-dioxothiolan-3-yl)-1-(2,3,4-trifluorophenyl)ethyl]hydrazine
CID 105305688
[2-(1,1-dioxothiolan-3-yl)-1-quinolin-3-ylethyl]hydrazine
CID 105286909

Frequently Asked Questions

What is the IUPAC name of [2-(1,1-dioxothiolan-3-yl)-1-(2-methylpyrazol-3-yl)ethyl]hydrazine?
The IUPAC name of [2-(1,1-dioxothiolan-3-yl)-1-(2-methylpyrazol-3-yl)ethyl]hydrazine (CID 105307419) is [2-(1,1-dioxothiolan-3-yl)-1-(2-methylpyrazol-3-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(1,1-dioxothiolan-3-yl)-1-(2-methylpyrazol-3-yl)ethyl]hydrazine?
The canonical SMILES for [2-(1,1-dioxothiolan-3-yl)-1-(2-methylpyrazol-3-yl)ethyl]hydrazine is Cn1nccc1C(CC1CCS(=O)(=O)C1)NN.
What is the InChIKey of [2-(1,1-dioxothiolan-3-yl)-1-(2-methylpyrazol-3-yl)ethyl]hydrazine?
The InChIKey is BYHVJESXRKLRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2S/c1-14-10(2-4-12-14)9(13-11)6-8-3-5-17(15,16)7-8/h2,4,8-9,13H,3,5-7,11H2,1H3.
What are the key properties of [2-(1,1-dioxothiolan-3-yl)-1-(2-methylpyrazol-3-yl)ethyl]hydrazine?
[2-(1,1-dioxothiolan-3-yl)-1-(2-methylpyrazol-3-yl)ethyl]hydrazine has a molecular weight of 258.35 g/mol, XLogP of -0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,1-dioxothiolan-3-yl)-1-(2-methylpyrazol-3-yl)ethyl]hydrazine is sourced from PubChem (CID 105307419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).