[1-(1-methylpyrazol-3-yl)-2-phenylsulfanylethyl]hydrazine

C12H16N4S — CID 103140206

IUPAC[1-(1-methylpyrazol-3-yl)-2-phenylsulfanylethyl]hydrazine
SMILESCn1ccc(C(CSc2ccccc2)NN)n1
InChIInChI=1S/C12H16N4S/c1-16-8-7-11(15-16)12(14-13)9-17-10-5-3-2-4-6-10/h2-8,12,14H,9,13H2,1H3
InChIKeyWLBQLAKVORTQKB-UHFFFAOYSA-N
MW248.36 g/mol
LogP1.72
Rot. Bonds5

About [1-(1-methylpyrazol-3-yl)-2-phenylsulfanylethyl]hydrazine

[1-(1-methylpyrazol-3-yl)-2-phenylsulfanylethyl]hydrazine (PubChem CID 103140206) has the molecular formula C12H16N4S and a molecular weight of 248.36 g/mol. Its IUPAC name is [1-(1-methylpyrazol-3-yl)-2-phenylsulfanylethyl]hydrazine.

Molecular Properties

Compound Name[1-(1-methylpyrazol-3-yl)-2-phenylsulfanylethyl]hydrazine
PubChem CID103140206
Molecular FormulaC12H16N4S
Molecular Weight248.36 g/mol
Exact Mass248.11
IUPAC Name[1-(1-methylpyrazol-3-yl)-2-phenylsulfanylethyl]hydrazine
SMILESCn1ccc(C(CSc2ccccc2)NN)n1
InChIInChI=1S/C12H16N4S/c1-16-8-7-11(15-16)12(14-13)9-17-10-5-3-2-4-6-10/h2-8,12,14H,9,13H2,1H3
InChIKeyWLBQLAKVORTQKB-UHFFFAOYSA-N
XLogP1.72
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.36
LogP ≤ 51.72
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-(4-fluorophenyl)sulfanyl-1-(1-methylpyrazol-3-yl)ethyl]hydrazine
CID 103140305
[2-(2-methylphenyl)-1-(1-methylpyrazol-3-yl)ethyl]hydrazine
CID 105228693
[3-ethyl-1-(1-methylpyrazol-3-yl)pentyl]hydrazine
CID 105228852
1-(1-methylpyrazol-3-yl)pentylhydrazine
CID 105228546
[2-(2,6-dimethylphenyl)-1-(1-methylpyrazol-3-yl)ethyl]hydrazine
CID 105228751
[2-(1-methylpyrazol-3-yl)-1-phenylethyl]hydrazine
CID 105199243
3-hydrazinyl-N,N-dimethyl-3-(1-methylpyrazol-3-yl)propan-1-amine
CID 103140522
[1-(1-methylpyrazol-3-yl)-2-propan-2-yloxyethyl]hydrazine
CID 105228844
[1-(4-ethylphenyl)-2-phenylsulfanylethyl]hydrazine
CID 105228219
[1-(1-methylpyrazol-3-yl)-2-quinolin-4-ylethyl]hydrazine
CID 105228713
[1-(1-methylpyrazol-3-yl)-2-(oxan-4-yl)ethyl]hydrazine
CID 105228609
(1-methylpyrazol-3-yl)-phenylmethanamine
CID 65200403

Frequently Asked Questions

What is the IUPAC name of [1-(1-methylpyrazol-3-yl)-2-phenylsulfanylethyl]hydrazine?
The IUPAC name of [1-(1-methylpyrazol-3-yl)-2-phenylsulfanylethyl]hydrazine (CID 103140206) is [1-(1-methylpyrazol-3-yl)-2-phenylsulfanylethyl]hydrazine.
What is the SMILES notation for [1-(1-methylpyrazol-3-yl)-2-phenylsulfanylethyl]hydrazine?
The canonical SMILES for [1-(1-methylpyrazol-3-yl)-2-phenylsulfanylethyl]hydrazine is Cn1ccc(C(CSc2ccccc2)NN)n1.
What is the InChIKey of [1-(1-methylpyrazol-3-yl)-2-phenylsulfanylethyl]hydrazine?
The InChIKey is WLBQLAKVORTQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S/c1-16-8-7-11(15-16)12(14-13)9-17-10-5-3-2-4-6-10/h2-8,12,14H,9,13H2,1H3.
What are the key properties of [1-(1-methylpyrazol-3-yl)-2-phenylsulfanylethyl]hydrazine?
[1-(1-methylpyrazol-3-yl)-2-phenylsulfanylethyl]hydrazine has a molecular weight of 248.36 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-methylpyrazol-3-yl)-2-phenylsulfanylethyl]hydrazine is sourced from PubChem (CID 103140206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).