[2-(4-fluorophenyl)sulfanyl-1-(4-methoxy-1-methylpyrazol-5-yl)ethyl]hydrazine

C13H17FN4OS — CID 105236731

IUPAC[2-(4-fluorophenyl)sulfanyl-1-(4-methoxy-1-methylpyrazol-5-yl)ethyl]hydrazine
SMILESCOc1cnn(C)c1C(CSc1ccc(F)cc1)NN
InChIInChI=1S/C13H17FN4OS/c1-18-13(12(19-2)7-16-18)11(17-15)8-20-10-5-3-9(14)4-6-10/h3-7,11,17H,8,15H2,1-2H3
InChIKeySWXLPDWPDMYPEP-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.86
Rot. Bonds6

About [2-(4-fluorophenyl)sulfanyl-1-(4-methoxy-1-methylpyrazol-5-yl)ethyl]hydrazine

[2-(4-fluorophenyl)sulfanyl-1-(4-methoxy-1-methylpyrazol-5-yl)ethyl]hydrazine (PubChem CID 105236731) has the molecular formula C13H17FN4OS and a molecular weight of 296.37 g/mol. Its IUPAC name is [2-(4-fluorophenyl)sulfanyl-1-(4-methoxy-1-methylpyrazol-5-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(4-fluorophenyl)sulfanyl-1-(4-methoxy-1-methylpyrazol-5-yl)ethyl]hydrazine
PubChem CID105236731
Molecular FormulaC13H17FN4OS
Molecular Weight296.37 g/mol
Exact Mass296.11
IUPAC Name[2-(4-fluorophenyl)sulfanyl-1-(4-methoxy-1-methylpyrazol-5-yl)ethyl]hydrazine
SMILESCOc1cnn(C)c1C(CSc1ccc(F)cc1)NN
InChIInChI=1S/C13H17FN4OS/c1-18-13(12(19-2)7-16-18)11(17-15)8-20-10-5-3-9(14)4-6-10/h3-7,11,17H,8,15H2,1-2H3
InChIKeySWXLPDWPDMYPEP-UHFFFAOYSA-N
XLogP1.86
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.86
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-(2-fluorophenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethyl]hydrazine
CID 105206986
[1-(4-methoxy-1-methylpyrazol-5-yl)-2-phenylethyl]hydrazine
CID 105195307
[2-ethoxy-1-(4-methoxy-1-methylpyrazol-5-yl)ethyl]hydrazine
CID 105235358
N-ethyl-2-(2-fluorophenyl)sulfanyl-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine
CID 114656065
[3-ethoxy-1-(4-methoxy-1-methylpyrazol-5-yl)propyl]hydrazine
CID 105339146
[2-(4-fluorophenyl)sulfanyl-1-(1-methylpyrazol-3-yl)ethyl]hydrazine
CID 103140305
[2-(4-fluorophenyl)sulfanyl-1-pyrimidin-5-ylethyl]hydrazine
CID 105236619
N,N-diethyl-3-hydrazinyl-3-(4-methoxy-1-methylpyrazol-5-yl)propan-1-amine
CID 105244142
1-(4-methoxy-1-methylpyrazol-5-yl)ethylhydrazine
CID 105201324
1-(4-ethylsulfanylphenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 106848978
2-(2-bromophenyl)sulfanyl-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylethanamine
CID 114656330
(4-methoxy-1-methylpyrazol-5-yl)-(4-methylsulfanylphenyl)methanol
CID 115836806

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)sulfanyl-1-(4-methoxy-1-methylpyrazol-5-yl)ethyl]hydrazine?
The IUPAC name of [2-(4-fluorophenyl)sulfanyl-1-(4-methoxy-1-methylpyrazol-5-yl)ethyl]hydrazine (CID 105236731) is [2-(4-fluorophenyl)sulfanyl-1-(4-methoxy-1-methylpyrazol-5-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(4-fluorophenyl)sulfanyl-1-(4-methoxy-1-methylpyrazol-5-yl)ethyl]hydrazine?
The canonical SMILES for [2-(4-fluorophenyl)sulfanyl-1-(4-methoxy-1-methylpyrazol-5-yl)ethyl]hydrazine is COc1cnn(C)c1C(CSc1ccc(F)cc1)NN.
What is the InChIKey of [2-(4-fluorophenyl)sulfanyl-1-(4-methoxy-1-methylpyrazol-5-yl)ethyl]hydrazine?
The InChIKey is SWXLPDWPDMYPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4OS/c1-18-13(12(19-2)7-16-18)11(17-15)8-20-10-5-3-9(14)4-6-10/h3-7,11,17H,8,15H2,1-2H3.
What are the key properties of [2-(4-fluorophenyl)sulfanyl-1-(4-methoxy-1-methylpyrazol-5-yl)ethyl]hydrazine?
[2-(4-fluorophenyl)sulfanyl-1-(4-methoxy-1-methylpyrazol-5-yl)ethyl]hydrazine has a molecular weight of 296.37 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)sulfanyl-1-(4-methoxy-1-methylpyrazol-5-yl)ethyl]hydrazine is sourced from PubChem (CID 105236731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).