[(4-bromo-1-methylpyrazol-5-yl)-(3-ethyl-1,4-dithian-2-yl)methyl]hydrazine

C11H19BrN4S2 — CID 105259962

IUPAC[(4-bromo-1-methylpyrazol-5-yl)-(3-ethyl-1,4-dithian-2-yl)methyl]hydrazine
SMILESCCC1SCCSC1C(NN)c1c(Br)cnn1C
InChIInChI=1S/C11H19BrN4S2/c1-3-8-11(18-5-4-17-8)9(15-13)10-7(12)6-14-16(10)2/h6,8-9,11,15H,3-5,13H2,1-2H3
InChIKeyJTCZFXTXAKFOIQ-UHFFFAOYSA-N
MW351.34 g/mol
LogP2.31
Rot. Bonds4

About [(4-bromo-1-methylpyrazol-5-yl)-(3-ethyl-1,4-dithian-2-yl)methyl]hydrazine

[(4-bromo-1-methylpyrazol-5-yl)-(3-ethyl-1,4-dithian-2-yl)methyl]hydrazine (PubChem CID 105259962) has the molecular formula C11H19BrN4S2 and a molecular weight of 351.34 g/mol. Its IUPAC name is [(4-bromo-1-methylpyrazol-5-yl)-(3-ethyl-1,4-dithian-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(4-bromo-1-methylpyrazol-5-yl)-(3-ethyl-1,4-dithian-2-yl)methyl]hydrazine
PubChem CID105259962
Molecular FormulaC11H19BrN4S2
Molecular Weight351.34 g/mol
Exact Mass350.02
IUPAC Name[(4-bromo-1-methylpyrazol-5-yl)-(3-ethyl-1,4-dithian-2-yl)methyl]hydrazine
SMILESCCC1SCCSC1C(NN)c1c(Br)cnn1C
InChIInChI=1S/C11H19BrN4S2/c1-3-8-11(18-5-4-17-8)9(15-13)10-7(12)6-14-16(10)2/h6,8-9,11,15H,3-5,13H2,1-2H3
InChIKeyJTCZFXTXAKFOIQ-UHFFFAOYSA-N
XLogP2.31
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.34
LogP ≤ 52.31
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'}

Analyze [(4-bromo-1-methylpyrazol-5-yl)-(3-ethyl-1,4-dithian-2-yl)methyl]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

1-(4-bromo-1-propylpyrazol-5-yl)-1-(3-ethyl-1,4-dithian-2-yl)-N-methylmethanamine
CID 114659583
N-[(4-bromo-1-methylpyrazol-5-yl)-(3-methyl-1,4-dithian-2-yl)methyl]propan-1-amine
CID 114659560
(1,4-dimethylpyrazol-5-yl)-(3-ethyl-1,4-dithian-2-yl)methanamine
CID 112742343
(4-chloro-1-methylpyrazol-5-yl)-(3-ethyl-1,4-dithian-2-yl)methanol
CID 114645209
1-(3-ethyl-1,4-dithian-2-yl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 113299695
N-[(4-bromo-1-methylpyrazol-5-yl)-(thian-2-yl)methyl]ethanamine
CID 114658946
[(4-tert-butylphenyl)-(3-ethyl-1,4-dithian-2-yl)methyl]hydrazine
CID 105260045
1-(4-bromothiophen-3-yl)-1-(3-ethyl-1,4-dithian-2-yl)-N-methylmethanamine
CID 113299693
1-(4-bromo-1-methylpyrazol-5-yl)butylhydrazine
CID 105202210
[1-(4-bromo-1-methylpyrazol-5-yl)-2-ethylbutyl]hydrazine
CID 105342070
[(4-bromo-1-propylpyrazol-5-yl)-(thiolan-3-yl)methyl]hydrazine
CID 105336726
1-(3-ethyl-1,4-dithian-2-yl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine
CID 115387757

Frequently Asked Questions

What is the IUPAC name of [(4-bromo-1-methylpyrazol-5-yl)-(3-ethyl-1,4-dithian-2-yl)methyl]hydrazine?
The IUPAC name of [(4-bromo-1-methylpyrazol-5-yl)-(3-ethyl-1,4-dithian-2-yl)methyl]hydrazine (CID 105259962) is [(4-bromo-1-methylpyrazol-5-yl)-(3-ethyl-1,4-dithian-2-yl)methyl]hydrazine.
What is the SMILES notation for [(4-bromo-1-methylpyrazol-5-yl)-(3-ethyl-1,4-dithian-2-yl)methyl]hydrazine?
The canonical SMILES for [(4-bromo-1-methylpyrazol-5-yl)-(3-ethyl-1,4-dithian-2-yl)methyl]hydrazine is CCC1SCCSC1C(NN)c1c(Br)cnn1C.
What is the InChIKey of [(4-bromo-1-methylpyrazol-5-yl)-(3-ethyl-1,4-dithian-2-yl)methyl]hydrazine?
The InChIKey is JTCZFXTXAKFOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrN4S2/c1-3-8-11(18-5-4-17-8)9(15-13)10-7(12)6-14-16(10)2/h6,8-9,11,15H,3-5,13H2,1-2H3.
What are the key properties of [(4-bromo-1-methylpyrazol-5-yl)-(3-ethyl-1,4-dithian-2-yl)methyl]hydrazine?
[(4-bromo-1-methylpyrazol-5-yl)-(3-ethyl-1,4-dithian-2-yl)methyl]hydrazine has a molecular weight of 351.34 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-bromo-1-methylpyrazol-5-yl)-(3-ethyl-1,4-dithian-2-yl)methyl]hydrazine is sourced from PubChem (CID 105259962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).