[2-(2-bicyclo[2.2.1]heptanyl)-1-(4-bromo-1-methylpyrazol-5-yl)ethyl]hydrazine

C13H21BrN4 — CID 105342090

IUPAC[2-(2-bicyclo[2.2.1]heptanyl)-1-(4-bromo-1-methylpyrazol-5-yl)ethyl]hydrazine
SMILESCn1ncc(Br)c1C(CC1CC2CCC1C2)NN
InChIInChI=1S/C13H21BrN4/c1-18-13(11(14)7-16-18)12(17-15)6-10-5-8-2-3-9(10)4-8/h7-10,12,17H,2-6,15H2,1H3
InChIKeyCJWHKEOZIMMGSE-UHFFFAOYSA-N
MW313.24 g/mol
LogP2.51
Rot. Bonds4

About [2-(2-bicyclo[2.2.1]heptanyl)-1-(4-bromo-1-methylpyrazol-5-yl)ethyl]hydrazine

[2-(2-bicyclo[2.2.1]heptanyl)-1-(4-bromo-1-methylpyrazol-5-yl)ethyl]hydrazine (PubChem CID 105342090) has the molecular formula C13H21BrN4 and a molecular weight of 313.24 g/mol. Its IUPAC name is [2-(2-bicyclo[2.2.1]heptanyl)-1-(4-bromo-1-methylpyrazol-5-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(2-bicyclo[2.2.1]heptanyl)-1-(4-bromo-1-methylpyrazol-5-yl)ethyl]hydrazine
PubChem CID105342090
Molecular FormulaC13H21BrN4
Molecular Weight313.24 g/mol
Exact Mass312.09
IUPAC Name[2-(2-bicyclo[2.2.1]heptanyl)-1-(4-bromo-1-methylpyrazol-5-yl)ethyl]hydrazine
SMILESCn1ncc(Br)c1C(CC1CC2CCC1C2)NN
InChIInChI=1S/C13H21BrN4/c1-18-13(11(14)7-16-18)12(17-15)6-10-5-8-2-3-9(10)4-8/h7-10,12,17H,2-6,15H2,1H3
InChIKeyCJWHKEOZIMMGSE-UHFFFAOYSA-N
XLogP2.51
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 52.51
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

2-(2-bicyclo[2.2.1]heptanyl)-1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methylethanamine
CID 105042049
2-(2-bicyclo[2.2.1]heptanyl)-1-(4-bromo-1-propylpyrazol-5-yl)-N-ethylethanamine
CID 105041464
2-(2-bicyclo[2.2.1]heptanyl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethanol
CID 115836851
1-(4-bromo-1-methylpyrazol-5-yl)butylhydrazine
CID 105202210
2-[5-[2-bicyclo[2.2.1]heptanyl(hydrazinyl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine
CID 105266654
[2-(2-bicyclo[2.2.1]heptanyl)-1-(2,6-dimethylphenyl)ethyl]hydrazine
CID 114027392
[2-(2-bicyclo[2.2.1]heptanyl)-1-(4-bromothiophen-2-yl)ethyl]hydrazine
CID 105222665
[2-(2-bicyclo[2.2.1]heptanyl)-1-pyridin-3-ylethyl]hydrazine
CID 105196324
[2-(2-bicyclo[2.2.1]heptanyl)-1-(5-methylfuran-2-yl)ethyl]hydrazine
CID 105323574
[2-(2-bicyclo[2.2.1]heptanyl)-1-(4-methyl-1,3-thiazol-5-yl)ethyl]hydrazine
CID 105323509
[2-(2-bicyclo[2.2.1]heptanyl)-1-(3-ethyl-4-pyridinyl)ethyl]hydrazine
CID 105262326
1-(4-bromo-1-methylpyrazol-5-yl)-2-cyclopentylethanamine
CID 105054241

Frequently Asked Questions

What is the IUPAC name of [2-(2-bicyclo[2.2.1]heptanyl)-1-(4-bromo-1-methylpyrazol-5-yl)ethyl]hydrazine?
The IUPAC name of [2-(2-bicyclo[2.2.1]heptanyl)-1-(4-bromo-1-methylpyrazol-5-yl)ethyl]hydrazine (CID 105342090) is [2-(2-bicyclo[2.2.1]heptanyl)-1-(4-bromo-1-methylpyrazol-5-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(2-bicyclo[2.2.1]heptanyl)-1-(4-bromo-1-methylpyrazol-5-yl)ethyl]hydrazine?
The canonical SMILES for [2-(2-bicyclo[2.2.1]heptanyl)-1-(4-bromo-1-methylpyrazol-5-yl)ethyl]hydrazine is Cn1ncc(Br)c1C(CC1CC2CCC1C2)NN.
What is the InChIKey of [2-(2-bicyclo[2.2.1]heptanyl)-1-(4-bromo-1-methylpyrazol-5-yl)ethyl]hydrazine?
The InChIKey is CJWHKEOZIMMGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN4/c1-18-13(11(14)7-16-18)12(17-15)6-10-5-8-2-3-9(10)4-8/h7-10,12,17H,2-6,15H2,1H3.
What are the key properties of [2-(2-bicyclo[2.2.1]heptanyl)-1-(4-bromo-1-methylpyrazol-5-yl)ethyl]hydrazine?
[2-(2-bicyclo[2.2.1]heptanyl)-1-(4-bromo-1-methylpyrazol-5-yl)ethyl]hydrazine has a molecular weight of 313.24 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-bicyclo[2.2.1]heptanyl)-1-(4-bromo-1-methylpyrazol-5-yl)ethyl]hydrazine is sourced from PubChem (CID 105342090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).