[2-(3-methylphenyl)sulfanyl-1-(1-methylpyrazol-4-yl)ethyl]hydrazine

C13H18N4S — CID 105237107

IUPAC[2-(3-methylphenyl)sulfanyl-1-(1-methylpyrazol-4-yl)ethyl]hydrazine
SMILESCc1cccc(SCC(NN)c2cnn(C)c2)c1
InChIInChI=1S/C13H18N4S/c1-10-4-3-5-12(6-10)18-9-13(16-14)11-7-15-17(2)8-11/h3-8,13,16H,9,14H2,1-2H3
InChIKeyOXZFRCJRYOLGAM-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.03
Rot. Bonds5

About [2-(3-methylphenyl)sulfanyl-1-(1-methylpyrazol-4-yl)ethyl]hydrazine

[2-(3-methylphenyl)sulfanyl-1-(1-methylpyrazol-4-yl)ethyl]hydrazine (PubChem CID 105237107) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is [2-(3-methylphenyl)sulfanyl-1-(1-methylpyrazol-4-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(3-methylphenyl)sulfanyl-1-(1-methylpyrazol-4-yl)ethyl]hydrazine
PubChem CID105237107
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC Name[2-(3-methylphenyl)sulfanyl-1-(1-methylpyrazol-4-yl)ethyl]hydrazine
SMILESCc1cccc(SCC(NN)c2cnn(C)c2)c1
InChIInChI=1S/C13H18N4S/c1-10-4-3-5-12(6-10)18-9-13(16-14)11-7-15-17(2)8-11/h3-8,13,16H,9,14H2,1-2H3
InChIKeyOXZFRCJRYOLGAM-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'}

Analyze [2-(3-methylphenyl)sulfanyl-1-(1-methylpyrazol-4-yl)ethyl]hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-2-(3-methylphenyl)sulfanyl-1-(1-methylpyrazol-4-yl)ethanamine
CID 66088931
[2-(4-bromophenyl)sulfanyl-1-(1-methylpyrazol-4-yl)ethyl]hydrazine
CID 105235895
[2-(2-methylphenyl)sulfanyl-1-(1-methylpyrazol-4-yl)ethyl]hydrazine
CID 105237349
[1-(3-fluoro-5-methylphenyl)-2-(3-methylphenyl)sulfanylethyl]hydrazine
CID 105237281
N-methyl-1-(1-methylpyrazol-4-yl)-2-phenylsulfanylethanamine
CID 65142083
[1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-(3-methylphenyl)sulfanylethyl]hydrazine
CID 105237087
[1-(3-ethyltriazol-4-yl)-2-(3-methylphenyl)sulfanylethyl]hydrazine
CID 114213638
[1-(furan-2-yl)-2-(3-methylphenyl)sulfanylethyl]hydrazine
CID 105237072
1-(3-methylphenyl)sulfanylbut-3-en-2-ylhydrazine
CID 105237093
[1-(2,6-difluoro-3-methylphenyl)-2-(3-methylphenyl)sulfanylethyl]hydrazine
CID 105237121
N-methyl-2-(3-methylphenyl)sulfanyl-1-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 112744024
N-ethyl-3-(3-methylphenyl)-1-(1-methylpyrazol-4-yl)propan-1-amine
CID 105104810

Frequently Asked Questions

What is the IUPAC name of [2-(3-methylphenyl)sulfanyl-1-(1-methylpyrazol-4-yl)ethyl]hydrazine?
The IUPAC name of [2-(3-methylphenyl)sulfanyl-1-(1-methylpyrazol-4-yl)ethyl]hydrazine (CID 105237107) is [2-(3-methylphenyl)sulfanyl-1-(1-methylpyrazol-4-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(3-methylphenyl)sulfanyl-1-(1-methylpyrazol-4-yl)ethyl]hydrazine?
The canonical SMILES for [2-(3-methylphenyl)sulfanyl-1-(1-methylpyrazol-4-yl)ethyl]hydrazine is Cc1cccc(SCC(NN)c2cnn(C)c2)c1.
What is the InChIKey of [2-(3-methylphenyl)sulfanyl-1-(1-methylpyrazol-4-yl)ethyl]hydrazine?
The InChIKey is OXZFRCJRYOLGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-10-4-3-5-12(6-10)18-9-13(16-14)11-7-15-17(2)8-11/h3-8,13,16H,9,14H2,1-2H3.
What are the key properties of [2-(3-methylphenyl)sulfanyl-1-(1-methylpyrazol-4-yl)ethyl]hydrazine?
[2-(3-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-(3-methylphenyl)sulfanyl-1-(1-methylpyrazol-4-yl)ethyl]hydrazine is sourced from PubChem (CID 105237107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).