[3-methyl-1-(1-methylpyrazol-3-yl)-3-methylsulfonylbutan-2-yl]hydrazine

C10H20N4O2S — CID 105329655

IUPAC[3-methyl-1-(1-methylpyrazol-3-yl)-3-methylsulfonylbutan-2-yl]hydrazine
SMILESCn1ccc(CC(NN)C(C)(C)S(C)(=O)=O)n1
InChIInChI=1S/C10H20N4O2S/c1-10(2,17(4,15)16)9(12-11)7-8-5-6-14(3)13-8/h5-6,9,12H,7,11H2,1-4H3
InChIKeyWTLRMCDSDLFQIV-UHFFFAOYSA-N
MW260.36 g/mol
LogP-0.38
Rot. Bonds5

About [3-methyl-1-(1-methylpyrazol-3-yl)-3-methylsulfonylbutan-2-yl]hydrazine

[3-methyl-1-(1-methylpyrazol-3-yl)-3-methylsulfonylbutan-2-yl]hydrazine (PubChem CID 105329655) has the molecular formula C10H20N4O2S and a molecular weight of 260.36 g/mol. Its IUPAC name is [3-methyl-1-(1-methylpyrazol-3-yl)-3-methylsulfonylbutan-2-yl]hydrazine.

Molecular Properties

Compound Name[3-methyl-1-(1-methylpyrazol-3-yl)-3-methylsulfonylbutan-2-yl]hydrazine
PubChem CID105329655
Molecular FormulaC10H20N4O2S
Molecular Weight260.36 g/mol
Exact Mass260.13
IUPAC Name[3-methyl-1-(1-methylpyrazol-3-yl)-3-methylsulfonylbutan-2-yl]hydrazine
SMILESCn1ccc(CC(NN)C(C)(C)S(C)(=O)=O)n1
InChIInChI=1S/C10H20N4O2S/c1-10(2,17(4,15)16)9(12-11)7-8-5-6-14(3)13-8/h5-6,9,12H,7,11H2,1-4H3
InChIKeyWTLRMCDSDLFQIV-UHFFFAOYSA-N
XLogP-0.38
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 5-0.38
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

N,N-diethyl-3-hydrazinyl-2-methyl-4-(1-methylpyrazol-3-yl)butan-2-amine
CID 105239262
1-(1-cyclopentylpyrazol-3-yl)-N,3-dimethyl-3-methylsulfonylbutan-2-amine
CID 104993943
[3-methyl-1-(1-methylpyrazol-3-yl)pentan-2-yl]hydrazine
CID 105219619
[2-(1-methylpyrazol-3-yl)-1-phenylethyl]hydrazine
CID 105199243
3,3-dimethyl-1-(1-methylpyrazol-3-yl)-N-propylpentan-2-amine
CID 105025716
2-fluoro-3-(1-methylpyrazol-3-yl)propan-1-amine
CID 112562653
4,4,4-trifluoro-1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)butan-2-amine
CID 103312218
N-ethyl-4,4-dimethyl-1-(1-methylpyrazol-3-yl)pentan-2-amine
CID 82876652
1-methyl-3-[(sulfamoylamino)methyl]pyrazole
CID 112548279
3-methyl-2-[(1-methylpyrazol-3-yl)methyl]butan-1-amine
CID 82878052
[2-(1-methylpyrazol-3-yl)-1-pyrimidin-5-ylethyl]hydrazine
CID 102924279
[3,3-dimethyl-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-yl]hydrazine
CID 105312810

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-(1-methylpyrazol-3-yl)-3-methylsulfonylbutan-2-yl]hydrazine?
The IUPAC name of [3-methyl-1-(1-methylpyrazol-3-yl)-3-methylsulfonylbutan-2-yl]hydrazine (CID 105329655) is [3-methyl-1-(1-methylpyrazol-3-yl)-3-methylsulfonylbutan-2-yl]hydrazine.
What is the SMILES notation for [3-methyl-1-(1-methylpyrazol-3-yl)-3-methylsulfonylbutan-2-yl]hydrazine?
The canonical SMILES for [3-methyl-1-(1-methylpyrazol-3-yl)-3-methylsulfonylbutan-2-yl]hydrazine is Cn1ccc(CC(NN)C(C)(C)S(C)(=O)=O)n1.
What is the InChIKey of [3-methyl-1-(1-methylpyrazol-3-yl)-3-methylsulfonylbutan-2-yl]hydrazine?
The InChIKey is WTLRMCDSDLFQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O2S/c1-10(2,17(4,15)16)9(12-11)7-8-5-6-14(3)13-8/h5-6,9,12H,7,11H2,1-4H3.
What are the key properties of [3-methyl-1-(1-methylpyrazol-3-yl)-3-methylsulfonylbutan-2-yl]hydrazine?
[3-methyl-1-(1-methylpyrazol-3-yl)-3-methylsulfonylbutan-2-yl]hydrazine has a molecular weight of 260.36 g/mol, XLogP of -0.38, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-(1-methylpyrazol-3-yl)-3-methylsulfonylbutan-2-yl]hydrazine is sourced from PubChem (CID 105329655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).