1-(4-bromo-1-propan-2-ylpyrazol-5-yl)nonylhydrazine

C15H29BrN4 — CID 105337039

IUPAC1-(4-bromo-1-propan-2-ylpyrazol-5-yl)nonylhydrazine
SMILESCCCCCCCCC(NN)c1c(Br)cnn1C(C)C
InChIInChI=1S/C15H29BrN4/c1-4-5-6-7-8-9-10-14(19-17)15-13(16)11-18-20(15)12(2)3/h11-12,14,19H,4-10,17H2,1-3H3
InChIKeyVQEMEQMDMZZWLT-UHFFFAOYSA-N
MW345.33 g/mol
LogP4.48
Rot. Bonds10

About 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)nonylhydrazine

1-(4-bromo-1-propan-2-ylpyrazol-5-yl)nonylhydrazine (PubChem CID 105337039) has the molecular formula C15H29BrN4 and a molecular weight of 345.33 g/mol. Its IUPAC name is 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)nonylhydrazine.

Molecular Properties

Compound Name1-(4-bromo-1-propan-2-ylpyrazol-5-yl)nonylhydrazine
PubChem CID105337039
Molecular FormulaC15H29BrN4
Molecular Weight345.33 g/mol
Exact Mass344.16
IUPAC Name1-(4-bromo-1-propan-2-ylpyrazol-5-yl)nonylhydrazine
SMILESCCCCCCCCC(NN)c1c(Br)cnn1C(C)C
InChIInChI=1S/C15H29BrN4/c1-4-5-6-7-8-9-10-14(19-17)15-13(16)11-18-20(15)12(2)3/h11-12,14,19H,4-10,17H2,1-3H3
InChIKeyVQEMEQMDMZZWLT-UHFFFAOYSA-N
XLogP4.48
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.33
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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)-N-methylnonan-1-amine
CID 105041983
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)hexan-1-ol
CID 114635708
[1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-3-methylpentyl]hydrazine
CID 105337015
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)pentan-1-ol
CID 114635608
[1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-3-methoxy-3-methylbutyl]hydrazine
CID 103025491
[1-(4-bromo-1-ethylpyrazol-5-yl)-4-methoxybutyl]hydrazine
CID 105225084
[1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-ethylbutyl]hydrazine
CID 105336913
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-4-methyl-N-propylpentan-1-amine
CID 114648745
[2-(2-bromophenyl)sulfanyl-1-(4-bromo-1-propan-2-ylpyrazol-5-yl)ethyl]hydrazine
CID 105238052
1-(4-bromo-1-methylpyrazol-5-yl)butylhydrazine
CID 105202210
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]butylhydrazine
CID 105202253
[1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-(3-methylphenyl)sulfanylethyl]hydrazine
CID 105237087

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)nonylhydrazine?
The IUPAC name of 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)nonylhydrazine (CID 105337039) is 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)nonylhydrazine.
What is the SMILES notation for 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)nonylhydrazine?
The canonical SMILES for 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)nonylhydrazine is CCCCCCCCC(NN)c1c(Br)cnn1C(C)C.
What is the InChIKey of 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)nonylhydrazine?
The InChIKey is VQEMEQMDMZZWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29BrN4/c1-4-5-6-7-8-9-10-14(19-17)15-13(16)11-18-20(15)12(2)3/h11-12,14,19H,4-10,17H2,1-3H3.
What are the key properties of 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)nonylhydrazine?
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)nonylhydrazine has a molecular weight of 345.33 g/mol, XLogP of 4.48, 10 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)nonylhydrazine is sourced from PubChem (CID 105337039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).