[1-butan-2-ylsulfanyl-3-(1-methylpyrazol-3-yl)propan-2-yl]hydrazine

C11H22N4S — CID 105227116

IUPAC[1-butan-2-ylsulfanyl-3-(1-methylpyrazol-3-yl)propan-2-yl]hydrazine
SMILESCCC(C)SCC(Cc1ccn(C)n1)NN
InChIInChI=1S/C11H22N4S/c1-4-9(2)16-8-11(13-12)7-10-5-6-15(3)14-10/h5-6,9,11,13H,4,7-8,12H2,1-3H3
InChIKeyFIDILCOHKVOEPF-UHFFFAOYSA-N
MW242.39 g/mol
LogP1.33
Rot. Bonds7

About [1-butan-2-ylsulfanyl-3-(1-methylpyrazol-3-yl)propan-2-yl]hydrazine

[1-butan-2-ylsulfanyl-3-(1-methylpyrazol-3-yl)propan-2-yl]hydrazine (PubChem CID 105227116) has the molecular formula C11H22N4S and a molecular weight of 242.39 g/mol. Its IUPAC name is [1-butan-2-ylsulfanyl-3-(1-methylpyrazol-3-yl)propan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-butan-2-ylsulfanyl-3-(1-methylpyrazol-3-yl)propan-2-yl]hydrazine
PubChem CID105227116
Molecular FormulaC11H22N4S
Molecular Weight242.39 g/mol
Exact Mass242.16
IUPAC Name[1-butan-2-ylsulfanyl-3-(1-methylpyrazol-3-yl)propan-2-yl]hydrazine
SMILESCCC(C)SCC(Cc1ccn(C)n1)NN
InChIInChI=1S/C11H22N4S/c1-4-9(2)16-8-11(13-12)7-10-5-6-15(3)14-10/h5-6,9,11,13H,4,7-8,12H2,1-3H3
InChIKeyFIDILCOHKVOEPF-UHFFFAOYSA-N
XLogP1.33
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

1-butan-2-ylsulfanyl-3-(1-methylpyrazol-3-yl)propan-2-ol
CID 82869244
1-(1-methylpyrazol-3-yl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine
CID 82878098
[3-methyl-1-(1-methylpyrazol-3-yl)pentan-2-yl]hydrazine
CID 105219619
[1-(2-methylpropylsulfanyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-yl]hydrazine
CID 105226952
[1-butan-2-ylsulfanyl-3-(4-chloro-1,3-dimethylpyrazol-5-yl)propan-2-yl]hydrazine
CID 105227300
N-methyl-1-(2-methylpropylsulfanyl)-3-(1-methylpyrazol-3-yl)propan-2-amine
CID 82876191
1-butan-2-ylsulfanyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine
CID 65136247
1-butan-2-ylsulfanyl-3-(1-cyclopentylpyrazol-3-yl)-N-methylpropan-2-amine
CID 65136017
[3-ethyl-1-(1-methylpyrazol-3-yl)heptan-2-yl]hydrazine
CID 105329522
2-butan-2-ylsulfanyl-1-(1-methylpyrazol-3-yl)ethanol
CID 103130607
[3-methoxy-1-(1-methylpyrazol-3-yl)pentan-2-yl]hydrazine
CID 105270657
[1-butan-2-ylsulfanyl-3-(1,3-thiazol-2-yl)propan-2-yl]hydrazine
CID 105227259

Frequently Asked Questions

What is the IUPAC name of [1-butan-2-ylsulfanyl-3-(1-methylpyrazol-3-yl)propan-2-yl]hydrazine?
The IUPAC name of [1-butan-2-ylsulfanyl-3-(1-methylpyrazol-3-yl)propan-2-yl]hydrazine (CID 105227116) is [1-butan-2-ylsulfanyl-3-(1-methylpyrazol-3-yl)propan-2-yl]hydrazine.
What is the SMILES notation for [1-butan-2-ylsulfanyl-3-(1-methylpyrazol-3-yl)propan-2-yl]hydrazine?
The canonical SMILES for [1-butan-2-ylsulfanyl-3-(1-methylpyrazol-3-yl)propan-2-yl]hydrazine is CCC(C)SCC(Cc1ccn(C)n1)NN.
What is the InChIKey of [1-butan-2-ylsulfanyl-3-(1-methylpyrazol-3-yl)propan-2-yl]hydrazine?
The InChIKey is FIDILCOHKVOEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4S/c1-4-9(2)16-8-11(13-12)7-10-5-6-15(3)14-10/h5-6,9,11,13H,4,7-8,12H2,1-3H3.
What are the key properties of [1-butan-2-ylsulfanyl-3-(1-methylpyrazol-3-yl)propan-2-yl]hydrazine?
[1-butan-2-ylsulfanyl-3-(1-methylpyrazol-3-yl)propan-2-yl]hydrazine has a molecular weight of 242.39 g/mol, XLogP of 1.33, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-butan-2-ylsulfanyl-3-(1-methylpyrazol-3-yl)propan-2-yl]hydrazine is sourced from PubChem (CID 105227116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).