[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(thiolan-2-yl)methyl]hydrazine

C11H19BrN4S — CID 105255309

IUPAC[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(thiolan-2-yl)methyl]hydrazine
SMILESCC(C)n1ncc(Br)c1C(NN)C1CCCS1
InChIInChI=1S/C11H19BrN4S/c1-7(2)16-11(8(12)6-14-16)10(15-13)9-4-3-5-17-9/h6-7,9-10,15H,3-5,13H2,1-2H3
InChIKeyLXXSVORFWSFYCC-UHFFFAOYSA-N
MW319.27 g/mol
LogP2.63
Rot. Bonds4

About [(4-bromo-1-propan-2-ylpyrazol-5-yl)-(thiolan-2-yl)methyl]hydrazine

[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(thiolan-2-yl)methyl]hydrazine (PubChem CID 105255309) has the molecular formula C11H19BrN4S and a molecular weight of 319.27 g/mol. Its IUPAC name is [(4-bromo-1-propan-2-ylpyrazol-5-yl)-(thiolan-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(thiolan-2-yl)methyl]hydrazine
PubChem CID105255309
Molecular FormulaC11H19BrN4S
Molecular Weight319.27 g/mol
Exact Mass318.05
IUPAC Name[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(thiolan-2-yl)methyl]hydrazine
SMILESCC(C)n1ncc(Br)c1C(NN)C1CCCS1
InChIInChI=1S/C11H19BrN4S/c1-7(2)16-11(8(12)6-14-16)10(15-13)9-4-3-5-17-9/h6-7,9-10,15H,3-5,13H2,1-2H3
InChIKeyLXXSVORFWSFYCC-UHFFFAOYSA-N
XLogP2.63
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.27
LogP ≤ 52.63
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-chloro-1-propan-2-ylpyrazol-5-yl)-(thiolan-2-yl)methyl]hydrazine
CID 105255597
[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(thiolan-2-yl)methyl]hydrazine
CID 105255449
[3-bicyclo[3.1.0]hexanyl-(4-bromo-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
CID 105336967
[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-methyloxolan-3-yl)methyl]hydrazine
CID 105336963
[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-ethyloxolan-3-yl)methyl]hydrazine
CID 114104870
N-[(4-bromo-1-propylpyrazol-5-yl)-(thiolan-2-yl)methyl]ethanamine
CID 114658889
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-cyclopentylethanamine
CID 105042259
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(4-methylcyclohexyl)methanamine
CID 114649211
(4-bromo-1-methylpyrazol-5-yl)-(thiolan-2-yl)methanol
CID 114645036
N-[(4-bromo-1-methylpyrazol-5-yl)-(thian-2-yl)methyl]ethanamine
CID 114658946
[(1-methylpyrazol-4-yl)-(thian-2-yl)methyl]hydrazine
CID 105255705
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(3-ethylcyclohexyl)-N-methylmethanamine
CID 114655618

Frequently Asked Questions

What is the IUPAC name of [(4-bromo-1-propan-2-ylpyrazol-5-yl)-(thiolan-2-yl)methyl]hydrazine?
The IUPAC name of [(4-bromo-1-propan-2-ylpyrazol-5-yl)-(thiolan-2-yl)methyl]hydrazine (CID 105255309) is [(4-bromo-1-propan-2-ylpyrazol-5-yl)-(thiolan-2-yl)methyl]hydrazine.
What is the SMILES notation for [(4-bromo-1-propan-2-ylpyrazol-5-yl)-(thiolan-2-yl)methyl]hydrazine?
The canonical SMILES for [(4-bromo-1-propan-2-ylpyrazol-5-yl)-(thiolan-2-yl)methyl]hydrazine is CC(C)n1ncc(Br)c1C(NN)C1CCCS1.
What is the InChIKey of [(4-bromo-1-propan-2-ylpyrazol-5-yl)-(thiolan-2-yl)methyl]hydrazine?
The InChIKey is LXXSVORFWSFYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrN4S/c1-7(2)16-11(8(12)6-14-16)10(15-13)9-4-3-5-17-9/h6-7,9-10,15H,3-5,13H2,1-2H3.
What are the key properties of [(4-bromo-1-propan-2-ylpyrazol-5-yl)-(thiolan-2-yl)methyl]hydrazine?
[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(thiolan-2-yl)methyl]hydrazine has a molecular weight of 319.27 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-bromo-1-propan-2-ylpyrazol-5-yl)-(thiolan-2-yl)methyl]hydrazine is sourced from PubChem (CID 105255309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).