[(4-bromo-1-propylpyrazol-5-yl)-(thiolan-3-yl)methyl]hydrazine

C11H19BrN4S — CID 105336726

IUPAC[(4-bromo-1-propylpyrazol-5-yl)-(thiolan-3-yl)methyl]hydrazine
SMILESCCCn1ncc(Br)c1C(NN)C1CCSC1
InChIInChI=1S/C11H19BrN4S/c1-2-4-16-11(9(12)6-14-16)10(15-13)8-3-5-17-7-8/h6,8,10,15H,2-5,7,13H2,1H3
InChIKeyJYBIWGVXRPVVEG-UHFFFAOYSA-N
MW319.27 g/mol
LogP2.31
Rot. Bonds5

About [(4-bromo-1-propylpyrazol-5-yl)-(thiolan-3-yl)methyl]hydrazine

[(4-bromo-1-propylpyrazol-5-yl)-(thiolan-3-yl)methyl]hydrazine (PubChem CID 105336726) has the molecular formula C11H19BrN4S and a molecular weight of 319.27 g/mol. Its IUPAC name is [(4-bromo-1-propylpyrazol-5-yl)-(thiolan-3-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(4-bromo-1-propylpyrazol-5-yl)-(thiolan-3-yl)methyl]hydrazine
PubChem CID105336726
Molecular FormulaC11H19BrN4S
Molecular Weight319.27 g/mol
Exact Mass318.05
IUPAC Name[(4-bromo-1-propylpyrazol-5-yl)-(thiolan-3-yl)methyl]hydrazine
SMILESCCCn1ncc(Br)c1C(NN)C1CCSC1
InChIInChI=1S/C11H19BrN4S/c1-2-4-16-11(9(12)6-14-16)10(15-13)8-3-5-17-7-8/h6,8,10,15H,2-5,7,13H2,1H3
InChIKeyJYBIWGVXRPVVEG-UHFFFAOYSA-N
XLogP2.31
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.27
LogP ≤ 52.31
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-ethylpyrazol-5-yl)-cyclopentylmethyl]hydrazine
CID 105204420
[(4-bromo-1-propylpyrazol-5-yl)-(3-methyloxolan-2-yl)methyl]hydrazine
CID 105336709
1-(4-bromo-1-propylpyrazol-5-yl)-N-methyl-1-(3-methylcyclopentyl)methanamine
CID 114655664
N-[(4-bromo-1-propylpyrazol-5-yl)-(3-methylcyclopentyl)methyl]propan-1-amine
CID 114655691
[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(thiolan-3-yl)methanol
CID 105127935
N-methyl-1-(2-propylpyrazol-3-yl)-1-(thiolan-3-yl)methanamine
CID 105148124
N-[(4-bromo-1-propylpyrazol-5-yl)-(thiolan-2-yl)methyl]ethanamine
CID 114658889
[1-(4-bromo-1-propylpyrazol-5-yl)-2-propylpentyl]hydrazine
CID 105336590
[1-(4-bromo-1-propylpyrazol-5-yl)-2-methylpropyl]hydrazine
CID 105199703
1-(4-bromo-1-propylpyrazol-5-yl)-1-(3-ethyl-1,4-dithian-2-yl)-N-methylmethanamine
CID 114659583
(4-bromo-1-propylpyrazol-5-yl)-(4-butylcyclohexyl)methanamine
CID 105041317
[1-(4-bromo-1-propylpyrazol-5-yl)-3-cyclohexylpropyl]hydrazine
CID 105336636

Frequently Asked Questions

What is the IUPAC name of [(4-bromo-1-propylpyrazol-5-yl)-(thiolan-3-yl)methyl]hydrazine?
The IUPAC name of [(4-bromo-1-propylpyrazol-5-yl)-(thiolan-3-yl)methyl]hydrazine (CID 105336726) is [(4-bromo-1-propylpyrazol-5-yl)-(thiolan-3-yl)methyl]hydrazine.
What is the SMILES notation for [(4-bromo-1-propylpyrazol-5-yl)-(thiolan-3-yl)methyl]hydrazine?
The canonical SMILES for [(4-bromo-1-propylpyrazol-5-yl)-(thiolan-3-yl)methyl]hydrazine is CCCn1ncc(Br)c1C(NN)C1CCSC1.
What is the InChIKey of [(4-bromo-1-propylpyrazol-5-yl)-(thiolan-3-yl)methyl]hydrazine?
The InChIKey is JYBIWGVXRPVVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrN4S/c1-2-4-16-11(9(12)6-14-16)10(15-13)8-3-5-17-7-8/h6,8,10,15H,2-5,7,13H2,1H3.
What are the key properties of [(4-bromo-1-propylpyrazol-5-yl)-(thiolan-3-yl)methyl]hydrazine?
[(4-bromo-1-propylpyrazol-5-yl)-(thiolan-3-yl)methyl]hydrazine has a molecular weight of 319.27 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-bromo-1-propylpyrazol-5-yl)-(thiolan-3-yl)methyl]hydrazine is sourced from PubChem (CID 105336726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).