[1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-3-methylpentyl]hydrazine

C12H23BrN4 — CID 105337015

IUPAC[1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-3-methylpentyl]hydrazine
SMILESCCC(C)CC(NN)c1c(Br)cnn1C(C)C
InChIInChI=1S/C12H23BrN4/c1-5-9(4)6-11(16-14)12-10(13)7-15-17(12)8(2)3/h7-9,11,16H,5-6,14H2,1-4H3
InChIKeyJOCUMARLQZYAOZ-UHFFFAOYSA-N
MW303.25 g/mol
LogP3.17
Rot. Bonds6

About [1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-3-methylpentyl]hydrazine

[1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-3-methylpentyl]hydrazine (PubChem CID 105337015) has the molecular formula C12H23BrN4 and a molecular weight of 303.25 g/mol. Its IUPAC name is [1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-3-methylpentyl]hydrazine.

Molecular Properties

Compound Name[1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-3-methylpentyl]hydrazine
PubChem CID105337015
Molecular FormulaC12H23BrN4
Molecular Weight303.25 g/mol
Exact Mass302.11
IUPAC Name[1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-3-methylpentyl]hydrazine
SMILESCCC(C)CC(NN)c1c(Br)cnn1C(C)C
InChIInChI=1S/C12H23BrN4/c1-5-9(4)6-11(16-14)12-10(13)7-15-17(12)8(2)3/h7-9,11,16H,5-6,14H2,1-4H3
InChIKeyJOCUMARLQZYAOZ-UHFFFAOYSA-N
XLogP3.17
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.25
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

1-(4-bromo-1-propan-2-ylpyrazol-5-yl)nonylhydrazine
CID 105337039
[1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-ethylbutyl]hydrazine
CID 105336913
[1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-3-methoxy-3-methylbutyl]hydrazine
CID 103025491
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-4-methoxy-N,3-dimethylbutan-1-amine
CID 105183990
[2-(2-bromophenyl)sulfanyl-1-(4-bromo-1-propan-2-ylpyrazol-5-yl)ethyl]hydrazine
CID 105238052
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-ethyl-3-methylpentan-1-amine
CID 105042954
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)butane-1,2-diol
CID 103454535
[1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-(3-methylphenyl)sulfanylethyl]hydrazine
CID 105237087
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-4-methyl-N-propylpentan-1-amine
CID 114648745
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methylnonan-1-amine
CID 105041983
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)pentan-1-ol
CID 114635608
[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-ethyloxolan-3-yl)methyl]hydrazine
CID 114104870

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-3-methylpentyl]hydrazine?
The IUPAC name of [1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-3-methylpentyl]hydrazine (CID 105337015) is [1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-3-methylpentyl]hydrazine.
What is the SMILES notation for [1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-3-methylpentyl]hydrazine?
The canonical SMILES for [1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-3-methylpentyl]hydrazine is CCC(C)CC(NN)c1c(Br)cnn1C(C)C.
What is the InChIKey of [1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-3-methylpentyl]hydrazine?
The InChIKey is JOCUMARLQZYAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23BrN4/c1-5-9(4)6-11(16-14)12-10(13)7-15-17(12)8(2)3/h7-9,11,16H,5-6,14H2,1-4H3.
What are the key properties of [1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-3-methylpentyl]hydrazine?
[1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-3-methylpentyl]hydrazine has a molecular weight of 303.25 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-3-methylpentyl]hydrazine is sourced from PubChem (CID 105337015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).