[(4-bromo-1-methylpyrazol-5-yl)-(2-methylsulfanylphenyl)methyl]hydrazine

C12H15BrN4S — CID 105342179

IUPAC[(4-bromo-1-methylpyrazol-5-yl)-(2-methylsulfanylphenyl)methyl]hydrazine
SMILESCSc1ccccc1C(NN)c1c(Br)cnn1C
InChIInChI=1S/C12H15BrN4S/c1-17-12(9(13)7-15-17)11(16-14)8-5-3-4-6-10(8)18-2/h3-7,11,16H,14H2,1-2H3
InChIKeyQPUODSNGGXKENL-UHFFFAOYSA-N
MW327.25 g/mol
LogP2.46
Rot. Bonds4

About [(4-bromo-1-methylpyrazol-5-yl)-(2-methylsulfanylphenyl)methyl]hydrazine

[(4-bromo-1-methylpyrazol-5-yl)-(2-methylsulfanylphenyl)methyl]hydrazine (PubChem CID 105342179) has the molecular formula C12H15BrN4S and a molecular weight of 327.25 g/mol. Its IUPAC name is [(4-bromo-1-methylpyrazol-5-yl)-(2-methylsulfanylphenyl)methyl]hydrazine.

Molecular Properties

Compound Name[(4-bromo-1-methylpyrazol-5-yl)-(2-methylsulfanylphenyl)methyl]hydrazine
PubChem CID105342179
Molecular FormulaC12H15BrN4S
Molecular Weight327.25 g/mol
Exact Mass326.02
IUPAC Name[(4-bromo-1-methylpyrazol-5-yl)-(2-methylsulfanylphenyl)methyl]hydrazine
SMILESCSc1ccccc1C(NN)c1c(Br)cnn1C
InChIInChI=1S/C12H15BrN4S/c1-17-12(9(13)7-15-17)11(16-14)8-5-3-4-6-10(8)18-2/h3-7,11,16H,14H2,1-2H3
InChIKeyQPUODSNGGXKENL-UHFFFAOYSA-N
XLogP2.46
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.25
LogP ≤ 52.46
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

(4-bromo-1-methylpyrazol-5-yl)-(2-methylsulfanylphenyl)methanamine
CID 105054374
[(4-bromo-1-methylpyrazol-5-yl)-(1-methylindazol-3-yl)methyl]hydrazine
CID 103129989
[(2-bromofuran-3-yl)-(4-bromo-1-methylpyrazol-5-yl)methyl]hydrazine
CID 106860278
[(4-bromo-1-methylpyrazol-5-yl)-(2,5-difluorophenyl)methyl]hydrazine
CID 105219438
[(4-bromo-1-methylpyrazol-5-yl)-(4-bromophenyl)methyl]hydrazine
CID 105192475
[(4-bromo-1-methylpyrazol-5-yl)-naphthalen-2-ylmethyl]hydrazine
CID 105213396
[(4-bromo-1-methylpyrazol-5-yl)-pyridin-3-ylmethyl]hydrazine
CID 105196230
[(4-bromo-1-methylpyrazol-5-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine
CID 105208166
[(4-bromo-1-methylpyrazol-5-yl)-(2,4-dichlorophenyl)methyl]hydrazine
CID 105342098
[(4-bromo-1-methylpyrazol-5-yl)-(5-bromothiophen-2-yl)methyl]hydrazine
CID 105222214
[(4-bromo-1-methylpyrazol-5-yl)-(6-methyl-3-pyridinyl)methyl]hydrazine
CID 105342125
[(4-bromo-1-methylpyrazol-5-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105342188

Frequently Asked Questions

What is the IUPAC name of [(4-bromo-1-methylpyrazol-5-yl)-(2-methylsulfanylphenyl)methyl]hydrazine?
The IUPAC name of [(4-bromo-1-methylpyrazol-5-yl)-(2-methylsulfanylphenyl)methyl]hydrazine (CID 105342179) is [(4-bromo-1-methylpyrazol-5-yl)-(2-methylsulfanylphenyl)methyl]hydrazine.
What is the SMILES notation for [(4-bromo-1-methylpyrazol-5-yl)-(2-methylsulfanylphenyl)methyl]hydrazine?
The canonical SMILES for [(4-bromo-1-methylpyrazol-5-yl)-(2-methylsulfanylphenyl)methyl]hydrazine is CSc1ccccc1C(NN)c1c(Br)cnn1C.
What is the InChIKey of [(4-bromo-1-methylpyrazol-5-yl)-(2-methylsulfanylphenyl)methyl]hydrazine?
The InChIKey is QPUODSNGGXKENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4S/c1-17-12(9(13)7-15-17)11(16-14)8-5-3-4-6-10(8)18-2/h3-7,11,16H,14H2,1-2H3.
What are the key properties of [(4-bromo-1-methylpyrazol-5-yl)-(2-methylsulfanylphenyl)methyl]hydrazine?
[(4-bromo-1-methylpyrazol-5-yl)-(2-methylsulfanylphenyl)methyl]hydrazine has a molecular weight of 327.25 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-bromo-1-methylpyrazol-5-yl)-(2-methylsulfanylphenyl)methyl]hydrazine is sourced from PubChem (CID 105342179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).