[1-(1,5-dimethylpyrazol-4-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethyl]hydrazine

C13H25N5O2S — CID 105322786

IUPAC[1-(1,5-dimethylpyrazol-4-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethyl]hydrazine
SMILESCc1c(C(CC2CCCN(S(C)(=O)=O)C2)NN)cnn1C
InChIInChI=1S/C13H25N5O2S/c1-10-12(8-15-17(10)2)13(16-14)7-11-5-4-6-18(9-11)21(3,19)20/h8,11,13,16H,4-7,9,14H2,1-3H3
InChIKeyKTUHMHHNTATFFI-UHFFFAOYSA-N
MW315.44 g/mol
LogP0.29
Rot. Bonds5

About [1-(1,5-dimethylpyrazol-4-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethyl]hydrazine

[1-(1,5-dimethylpyrazol-4-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethyl]hydrazine (PubChem CID 105322786) has the molecular formula C13H25N5O2S and a molecular weight of 315.44 g/mol. Its IUPAC name is [1-(1,5-dimethylpyrazol-4-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(1,5-dimethylpyrazol-4-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethyl]hydrazine
PubChem CID105322786
Molecular FormulaC13H25N5O2S
Molecular Weight315.44 g/mol
Exact Mass315.17
IUPAC Name[1-(1,5-dimethylpyrazol-4-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethyl]hydrazine
SMILESCc1c(C(CC2CCCN(S(C)(=O)=O)C2)NN)cnn1C
InChIInChI=1S/C13H25N5O2S/c1-10-12(8-15-17(10)2)13(16-14)7-11-5-4-6-18(9-11)21(3,19)20/h8,11,13,16H,4-7,9,14H2,1-3H3
InChIKeyKTUHMHHNTATFFI-UHFFFAOYSA-N
XLogP0.29
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 50.29
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-hydrazinyl-2-(1-methylsulfonylpiperidin-3-yl)ethyl]aniline
CID 105223840
[1-(2-chlorofuran-3-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethyl]hydrazine
CID 106694587
[1-(1-methylpyrazol-3-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethyl]hydrazine
CID 105228709
[3-cyclopropyl-1-(1,5-dimethylpyrazol-4-yl)propyl]hydrazine
CID 105315128
[1-(5-fluoro-3-pyridinyl)-2-(1-methylsulfonylpiperidin-3-yl)ethyl]hydrazine
CID 105322812
[1-(1,5-dimethylpyrazol-4-yl)-3-methylsulfonylpropyl]hydrazine
CID 114985127
[1-(3-fluoro-2-pyridinyl)-2-(1-methylsulfonylpiperidin-3-yl)ethyl]hydrazine
CID 105257833
1-(2-methylpyrazol-3-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 105167008
N-methyl-1-(1-methylpyrazol-3-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 79610045
[1-(3-methoxythiophen-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethyl]hydrazine
CID 105322822
1-(3-chloro-4-pyridinyl)-N-methyl-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 105167000
1-(2,6-dimethyl-3-pyridinyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 105166956

Frequently Asked Questions

What is the IUPAC name of [1-(1,5-dimethylpyrazol-4-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethyl]hydrazine?
The IUPAC name of [1-(1,5-dimethylpyrazol-4-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethyl]hydrazine (CID 105322786) is [1-(1,5-dimethylpyrazol-4-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethyl]hydrazine.
What is the SMILES notation for [1-(1,5-dimethylpyrazol-4-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethyl]hydrazine?
The canonical SMILES for [1-(1,5-dimethylpyrazol-4-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethyl]hydrazine is Cc1c(C(CC2CCCN(S(C)(=O)=O)C2)NN)cnn1C.
What is the InChIKey of [1-(1,5-dimethylpyrazol-4-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethyl]hydrazine?
The InChIKey is KTUHMHHNTATFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O2S/c1-10-12(8-15-17(10)2)13(16-14)7-11-5-4-6-18(9-11)21(3,19)20/h8,11,13,16H,4-7,9,14H2,1-3H3.
What are the key properties of [1-(1,5-dimethylpyrazol-4-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethyl]hydrazine?
[1-(1,5-dimethylpyrazol-4-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethyl]hydrazine has a molecular weight of 315.44 g/mol, XLogP of 0.29, 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)-2-(1-methylsulfonylpiperidin-3-yl)ethyl]hydrazine is sourced from PubChem (CID 105322786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).