[(4-bromo-1-propylpyrazol-5-yl)-(3-methyloxolan-2-yl)methyl]hydrazine

C12H21BrN4O — CID 105336709

IUPAC[(4-bromo-1-propylpyrazol-5-yl)-(3-methyloxolan-2-yl)methyl]hydrazine
SMILESCCCn1ncc(Br)c1C(NN)C1OCCC1C
InChIInChI=1S/C12H21BrN4O/c1-3-5-17-11(9(13)7-15-17)10(16-14)12-8(2)4-6-18-12/h7-8,10,12,16H,3-6,14H2,1-2H3
InChIKeyHILZEDLFQHUYNW-UHFFFAOYSA-N
MW317.23 g/mol
LogP1.99
Rot. Bonds5

About [(4-bromo-1-propylpyrazol-5-yl)-(3-methyloxolan-2-yl)methyl]hydrazine

[(4-bromo-1-propylpyrazol-5-yl)-(3-methyloxolan-2-yl)methyl]hydrazine (PubChem CID 105336709) has the molecular formula C12H21BrN4O and a molecular weight of 317.23 g/mol. Its IUPAC name is [(4-bromo-1-propylpyrazol-5-yl)-(3-methyloxolan-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(4-bromo-1-propylpyrazol-5-yl)-(3-methyloxolan-2-yl)methyl]hydrazine
PubChem CID105336709
Molecular FormulaC12H21BrN4O
Molecular Weight317.23 g/mol
Exact Mass316.09
IUPAC Name[(4-bromo-1-propylpyrazol-5-yl)-(3-methyloxolan-2-yl)methyl]hydrazine
SMILESCCCn1ncc(Br)c1C(NN)C1OCCC1C
InChIInChI=1S/C12H21BrN4O/c1-3-5-17-11(9(13)7-15-17)10(16-14)12-8(2)4-6-18-12/h7-8,10,12,16H,3-6,14H2,1-2H3
InChIKeyHILZEDLFQHUYNW-UHFFFAOYSA-N
XLogP1.99
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.23
LogP ≤ 51.99
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-propylpyrazol-5-yl)-(3-methyloxolan-2-yl)methyl]hydrazine
CID 105337240
N-[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-methyloxolan-2-yl)methyl]propan-1-amine
CID 105042952
[(4-bromo-1-propylpyrazol-5-yl)-(thiolan-3-yl)methyl]hydrazine
CID 105336726
[(5-bromo-3-methyltriazol-4-yl)-(3-methyloxolan-2-yl)methyl]hydrazine
CID 106466524
2-[4-bromo-5-[hydrazinyl-(2-methyloxolan-3-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 105336500
1-(4-bromo-1-propylpyrazol-5-yl)-N-methyl-1-(3-methylcyclopentyl)methanamine
CID 114655664
[(4-bromo-1-propylpyrazol-5-yl)-(2,3-dihydro-1-benzofuran-3-yl)methyl]hydrazine
CID 105262798
[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(oxolan-2-yl)methyl]hydrazine
CID 105229175
[1-(4-bromo-1-propylpyrazol-5-yl)-2-propylpentyl]hydrazine
CID 105336590
[1-(4-bromo-1-propylpyrazol-5-yl)-2-methylpropyl]hydrazine
CID 105199703
[(4-bromo-1-ethylpyrazol-5-yl)-cyclopentylmethyl]hydrazine
CID 105204420
N-[(4-bromo-1-propylpyrazol-5-yl)-(3-methylcyclopentyl)methyl]propan-1-amine
CID 114655691

Frequently Asked Questions

What is the IUPAC name of [(4-bromo-1-propylpyrazol-5-yl)-(3-methyloxolan-2-yl)methyl]hydrazine?
The IUPAC name of [(4-bromo-1-propylpyrazol-5-yl)-(3-methyloxolan-2-yl)methyl]hydrazine (CID 105336709) is [(4-bromo-1-propylpyrazol-5-yl)-(3-methyloxolan-2-yl)methyl]hydrazine.
What is the SMILES notation for [(4-bromo-1-propylpyrazol-5-yl)-(3-methyloxolan-2-yl)methyl]hydrazine?
The canonical SMILES for [(4-bromo-1-propylpyrazol-5-yl)-(3-methyloxolan-2-yl)methyl]hydrazine is CCCn1ncc(Br)c1C(NN)C1OCCC1C.
What is the InChIKey of [(4-bromo-1-propylpyrazol-5-yl)-(3-methyloxolan-2-yl)methyl]hydrazine?
The InChIKey is HILZEDLFQHUYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21BrN4O/c1-3-5-17-11(9(13)7-15-17)10(16-14)12-8(2)4-6-18-12/h7-8,10,12,16H,3-6,14H2,1-2H3.
What are the key properties of [(4-bromo-1-propylpyrazol-5-yl)-(3-methyloxolan-2-yl)methyl]hydrazine?
[(4-bromo-1-propylpyrazol-5-yl)-(3-methyloxolan-2-yl)methyl]hydrazine has a molecular weight of 317.23 g/mol, XLogP of 1.99, 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)-(3-methyloxolan-2-yl)methyl]hydrazine is sourced from PubChem (CID 105336709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).