[1-(1,5-dimethylpyrazol-4-yl)-3-methylsulfonylpropyl]hydrazine

C9H18N4O2S — CID 114985127

IUPAC[1-(1,5-dimethylpyrazol-4-yl)-3-methylsulfonylpropyl]hydrazine
SMILESCc1c(C(CCS(C)(=O)=O)NN)cnn1C
InChIInChI=1S/C9H18N4O2S/c1-7-8(6-11-13(7)2)9(12-10)4-5-16(3,14)15/h6,9,12H,4-5,10H2,1-3H3
InChIKeyIZFUNVZRKPLMMD-UHFFFAOYSA-N
MW246.34 g/mol
LogP-0.33
Rot. Bonds5

About [1-(1,5-dimethylpyrazol-4-yl)-3-methylsulfonylpropyl]hydrazine

[1-(1,5-dimethylpyrazol-4-yl)-3-methylsulfonylpropyl]hydrazine (PubChem CID 114985127) has the molecular formula C9H18N4O2S and a molecular weight of 246.34 g/mol. Its IUPAC name is [1-(1,5-dimethylpyrazol-4-yl)-3-methylsulfonylpropyl]hydrazine.

Molecular Properties

Compound Name[1-(1,5-dimethylpyrazol-4-yl)-3-methylsulfonylpropyl]hydrazine
PubChem CID114985127
Molecular FormulaC9H18N4O2S
Molecular Weight246.34 g/mol
Exact Mass246.12
IUPAC Name[1-(1,5-dimethylpyrazol-4-yl)-3-methylsulfonylpropyl]hydrazine
SMILESCc1c(C(CCS(C)(=O)=O)NN)cnn1C
InChIInChI=1S/C9H18N4O2S/c1-7-8(6-11-13(7)2)9(12-10)4-5-16(3,14)15/h6,9,12H,4-5,10H2,1-3H3
InChIKeyIZFUNVZRKPLMMD-UHFFFAOYSA-N
XLogP-0.33
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 5-0.33
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-cyclopropyl-1-(1,5-dimethylpyrazol-4-yl)propyl]hydrazine
CID 105315128
[1-(1,5-dimethylpyrazol-4-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethyl]hydrazine
CID 105322786
1-(1,5-dimethylpyrazol-4-yl)-N-ethyl-4-ethylsulfonylbutan-1-amine
CID 105152645
[1-(1,5-dimethylpyrazol-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]hydrazine
CID 105312735
[1-(1-methylimidazol-2-yl)-3-methylsulfonylpropyl]hydrazine
CID 114984867
[1-(2-fluorophenyl)-3-methylsulfonylpropyl]hydrazine
CID 114984642
[1-(4-methyl-3-pyridinyl)-4-methylsulfonylbutyl]hydrazine
CID 105279776
(3-methylsulfonyl-1-naphthalen-1-ylpropyl)hydrazine
CID 114984621
(1S)-2-amino-1-(1,5-dimethylpyrazol-4-yl)ethanol
CID 96635093
[2-(2-chloro-4-methylphenyl)-1-(1,5-dimethylpyrazol-4-yl)ethyl]hydrazine
CID 106868341
(1S)-3-amino-1-(1,5-dimethylpyrazol-4-yl)propan-1-ol
CID 96631923
[1-(1,5-dimethylpyrazol-4-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]hydrazine
CID 105317685

Frequently Asked Questions

What is the IUPAC name of [1-(1,5-dimethylpyrazol-4-yl)-3-methylsulfonylpropyl]hydrazine?
The IUPAC name of [1-(1,5-dimethylpyrazol-4-yl)-3-methylsulfonylpropyl]hydrazine (CID 114985127) is [1-(1,5-dimethylpyrazol-4-yl)-3-methylsulfonylpropyl]hydrazine.
What is the SMILES notation for [1-(1,5-dimethylpyrazol-4-yl)-3-methylsulfonylpropyl]hydrazine?
The canonical SMILES for [1-(1,5-dimethylpyrazol-4-yl)-3-methylsulfonylpropyl]hydrazine is Cc1c(C(CCS(C)(=O)=O)NN)cnn1C.
What is the InChIKey of [1-(1,5-dimethylpyrazol-4-yl)-3-methylsulfonylpropyl]hydrazine?
The InChIKey is IZFUNVZRKPLMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O2S/c1-7-8(6-11-13(7)2)9(12-10)4-5-16(3,14)15/h6,9,12H,4-5,10H2,1-3H3.
What are the key properties of [1-(1,5-dimethylpyrazol-4-yl)-3-methylsulfonylpropyl]hydrazine?
[1-(1,5-dimethylpyrazol-4-yl)-3-methylsulfonylpropyl]hydrazine has a molecular weight of 246.34 g/mol, XLogP of -0.33, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,5-dimethylpyrazol-4-yl)-3-methylsulfonylpropyl]hydrazine is sourced from PubChem (CID 114985127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).