[2-(2-methylphenyl)sulfanyl-1-(1-methylpyrazol-4-yl)ethyl]hydrazine

C13H18N4S — CID 105237349

IUPAC[2-(2-methylphenyl)sulfanyl-1-(1-methylpyrazol-4-yl)ethyl]hydrazine
SMILESCc1ccccc1SCC(NN)c1cnn(C)c1
InChIInChI=1S/C13H18N4S/c1-10-5-3-4-6-13(10)18-9-12(16-14)11-7-15-17(2)8-11/h3-8,12,16H,9,14H2,1-2H3
InChIKeySZVOGZGZPITOIO-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.03
Rot. Bonds5

About [2-(2-methylphenyl)sulfanyl-1-(1-methylpyrazol-4-yl)ethyl]hydrazine

[2-(2-methylphenyl)sulfanyl-1-(1-methylpyrazol-4-yl)ethyl]hydrazine (PubChem CID 105237349) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is [2-(2-methylphenyl)sulfanyl-1-(1-methylpyrazol-4-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(2-methylphenyl)sulfanyl-1-(1-methylpyrazol-4-yl)ethyl]hydrazine
PubChem CID105237349
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC Name[2-(2-methylphenyl)sulfanyl-1-(1-methylpyrazol-4-yl)ethyl]hydrazine
SMILESCc1ccccc1SCC(NN)c1cnn(C)c1
InChIInChI=1S/C13H18N4S/c1-10-5-3-4-6-13(10)18-9-12(16-14)11-7-15-17(2)8-11/h3-8,12,16H,9,14H2,1-2H3
InChIKeySZVOGZGZPITOIO-UHFFFAOYSA-N
XLogP2.03
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.03
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

[2-(3-methylphenyl)sulfanyl-1-(1-methylpyrazol-4-yl)ethyl]hydrazine
CID 105237107
[2-(2-methylphenyl)sulfanyl-1-phenylethyl]hydrazine
CID 105237305
[2-(4-bromophenyl)sulfanyl-1-(1-methylpyrazol-4-yl)ethyl]hydrazine
CID 105235895
[2-(2-methylphenyl)sulfanyl-1-(2-methylpyrazol-3-yl)ethyl]hydrazine
CID 105237318
[2-(2-methylphenyl)sulfanyl-1-(3-methyltriazol-4-yl)ethyl]hydrazine
CID 105237364
N-methyl-1-(1-methylpyrazol-4-yl)-2-phenylsulfanylethanamine
CID 65142083
N-methyl-2-(2-methylphenyl)-1-(1-methylpyrazol-4-yl)ethanamine
CID 43485902
1,2-bis(1-methylpyrazol-4-yl)ethylhydrazine
CID 105228414
[2-(2-methylphenyl)sulfanyl-1-(1-propylimidazol-2-yl)ethyl]hydrazine
CID 105237408
1-(1-methylpyrazol-4-yl)but-3-ynylhydrazine
CID 105228420
1-(1-methylpyrazol-4-yl)hexylhydrazine
CID 105228484
N-methyl-2-(3-methylphenyl)sulfanyl-1-(1-methylpyrazol-4-yl)ethanamine
CID 66088931

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylphenyl)sulfanyl-1-(1-methylpyrazol-4-yl)ethyl]hydrazine?
The IUPAC name of [2-(2-methylphenyl)sulfanyl-1-(1-methylpyrazol-4-yl)ethyl]hydrazine (CID 105237349) is [2-(2-methylphenyl)sulfanyl-1-(1-methylpyrazol-4-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(2-methylphenyl)sulfanyl-1-(1-methylpyrazol-4-yl)ethyl]hydrazine?
The canonical SMILES for [2-(2-methylphenyl)sulfanyl-1-(1-methylpyrazol-4-yl)ethyl]hydrazine is Cc1ccccc1SCC(NN)c1cnn(C)c1.
What is the InChIKey of [2-(2-methylphenyl)sulfanyl-1-(1-methylpyrazol-4-yl)ethyl]hydrazine?
The InChIKey is SZVOGZGZPITOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-10-5-3-4-6-13(10)18-9-12(16-14)11-7-15-17(2)8-11/h3-8,12,16H,9,14H2,1-2H3.
What are the key properties of [2-(2-methylphenyl)sulfanyl-1-(1-methylpyrazol-4-yl)ethyl]hydrazine?
[2-(2-methylphenyl)sulfanyl-1-(1-methylpyrazol-4-yl)ethyl]hydrazine has a molecular weight of 262.38 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylphenyl)sulfanyl-1-(1-methylpyrazol-4-yl)ethyl]hydrazine is sourced from PubChem (CID 105237349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).