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

C12H15BrN4S — CID 105235895

IUPAC[2-(4-bromophenyl)sulfanyl-1-(1-methylpyrazol-4-yl)ethyl]hydrazine
SMILESCn1cc(C(CSc2ccc(Br)cc2)NN)cn1
InChIInChI=1S/C12H15BrN4S/c1-17-7-9(6-15-17)12(16-14)8-18-11-4-2-10(13)3-5-11/h2-7,12,16H,8,14H2,1H3
InChIKeyPLYHXZRBPDWNSC-UHFFFAOYSA-N
MW327.25 g/mol
LogP2.48
Rot. Bonds5

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

[2-(4-bromophenyl)sulfanyl-1-(1-methylpyrazol-4-yl)ethyl]hydrazine (PubChem CID 105235895) has the molecular formula C12H15BrN4S and a molecular weight of 327.25 g/mol. Its IUPAC name is [2-(4-bromophenyl)sulfanyl-1-(1-methylpyrazol-4-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(4-bromophenyl)sulfanyl-1-(1-methylpyrazol-4-yl)ethyl]hydrazine
PubChem CID105235895
Molecular FormulaC12H15BrN4S
Molecular Weight327.25 g/mol
Exact Mass326.02
IUPAC Name[2-(4-bromophenyl)sulfanyl-1-(1-methylpyrazol-4-yl)ethyl]hydrazine
SMILESCn1cc(C(CSc2ccc(Br)cc2)NN)cn1
InChIInChI=1S/C12H15BrN4S/c1-17-7-9(6-15-17)12(16-14)8-18-11-4-2-10(13)3-5-11/h2-7,12,16H,8,14H2,1H3
InChIKeyPLYHXZRBPDWNSC-UHFFFAOYSA-N
XLogP2.48
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.25
LogP ≤ 52.48
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-(1-methylpyrazol-4-yl)ethyl]hydrazine
CID 105237349
[2-(4-bromophenyl)sulfanyl-1-phenylethyl]hydrazine
CID 105235850
N-methyl-1-(1-methylpyrazol-4-yl)-2-phenylsulfanylethanamine
CID 65142083
2-(4-bromoanilino)-2-(1-methylpyrazol-4-yl)ethanol
CID 61049265
[2-(4-bromophenyl)sulfanyl-1-(5-ethoxy-3-pyridinyl)ethyl]hydrazine
CID 105235964
1,2-bis(1-methylpyrazol-4-yl)ethylhydrazine
CID 105228414
1-(4-bromophenyl)sulfanyl-4-(1-methylpyrazol-4-yl)butan-2-ol
CID 103008240
1-(1-methylpyrazol-4-yl)but-3-ynylhydrazine
CID 105228420
1-(4-bromo-1-methylpyrazol-5-yl)-2-(4-bromophenyl)sulfanyl-N-methylethanamine
CID 114656027
[2-(3-bromo-5-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethyl]hydrazine
CID 105228370
1-(1-methylpyrazol-4-yl)hexylhydrazine
CID 105228484

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromophenyl)sulfanyl-1-(1-methylpyrazol-4-yl)ethyl]hydrazine?
The IUPAC name of [2-(4-bromophenyl)sulfanyl-1-(1-methylpyrazol-4-yl)ethyl]hydrazine (CID 105235895) is [2-(4-bromophenyl)sulfanyl-1-(1-methylpyrazol-4-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(4-bromophenyl)sulfanyl-1-(1-methylpyrazol-4-yl)ethyl]hydrazine?
The canonical SMILES for [2-(4-bromophenyl)sulfanyl-1-(1-methylpyrazol-4-yl)ethyl]hydrazine is Cn1cc(C(CSc2ccc(Br)cc2)NN)cn1.
What is the InChIKey of [2-(4-bromophenyl)sulfanyl-1-(1-methylpyrazol-4-yl)ethyl]hydrazine?
The InChIKey is PLYHXZRBPDWNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4S/c1-17-7-9(6-15-17)12(16-14)8-18-11-4-2-10(13)3-5-11/h2-7,12,16H,8,14H2,1H3.
What are the key properties of [2-(4-bromophenyl)sulfanyl-1-(1-methylpyrazol-4-yl)ethyl]hydrazine?
[2-(4-bromophenyl)sulfanyl-1-(1-methylpyrazol-4-yl)ethyl]hydrazine has a molecular weight of 327.25 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromophenyl)sulfanyl-1-(1-methylpyrazol-4-yl)ethyl]hydrazine is sourced from PubChem (CID 105235895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).