[3-bicyclo[3.1.0]hexanyl-(4-bromo-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine

C13H21BrN4 — CID 105336967

IUPAC[3-bicyclo[3.1.0]hexanyl-(4-bromo-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
SMILESCC(C)n1ncc(Br)c1C(NN)C1CC2CC2C1
InChIInChI=1S/C13H21BrN4/c1-7(2)18-13(11(14)6-16-18)12(17-15)10-4-8-3-9(8)5-10/h6-10,12,17H,3-5,15H2,1-2H3
InChIKeyXHRLAHNMMQVRJT-UHFFFAOYSA-N
MW313.24 g/mol
LogP2.78
Rot. Bonds4

About [3-bicyclo[3.1.0]hexanyl-(4-bromo-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine

[3-bicyclo[3.1.0]hexanyl-(4-bromo-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine (PubChem CID 105336967) has the molecular formula C13H21BrN4 and a molecular weight of 313.24 g/mol. Its IUPAC name is [3-bicyclo[3.1.0]hexanyl-(4-bromo-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine.

Molecular Properties

Compound Name[3-bicyclo[3.1.0]hexanyl-(4-bromo-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
PubChem CID105336967
Molecular FormulaC13H21BrN4
Molecular Weight313.24 g/mol
Exact Mass312.09
IUPAC Name[3-bicyclo[3.1.0]hexanyl-(4-bromo-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
SMILESCC(C)n1ncc(Br)c1C(NN)C1CC2CC2C1
InChIInChI=1S/C13H21BrN4/c1-7(2)18-13(11(14)6-16-18)12(17-15)10-4-8-3-9(8)5-10/h6-10,12,17H,3-5,15H2,1-2H3
InChIKeyXHRLAHNMMQVRJT-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
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'}

Analyze [3-bicyclo[3.1.0]hexanyl-(4-bromo-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
CID 114660210
[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(thiolan-2-yl)methyl]hydrazine
CID 105255309
[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-methyloxolan-3-yl)methyl]hydrazine
CID 105336963
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(4-methylcyclohexyl)methanamine
CID 114649211
[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-ethyloxolan-3-yl)methyl]hydrazine
CID 114104870
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(3-ethylcyclohexyl)-N-methylmethanamine
CID 114655618
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-cyclopentylethanamine
CID 105042259
N-[2-bicyclo[2.2.1]heptanyl-(4-bromo-1-propan-2-ylpyrazol-5-yl)methyl]ethanamine
CID 114660353
[1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-ethylbutyl]hydrazine
CID 105336913
N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-methylcyclohexyl)methyl]ethanamine
CID 114649226
N-[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-methylcyclopropyl)methyl]propan-1-amine
CID 114655928
[(4-chloro-1-propan-2-ylpyrazol-5-yl)-cyclohexylmethyl]hydrazine
CID 105201958

Frequently Asked Questions

What is the IUPAC name of [3-bicyclo[3.1.0]hexanyl-(4-bromo-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine?
The IUPAC name of [3-bicyclo[3.1.0]hexanyl-(4-bromo-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine (CID 105336967) is [3-bicyclo[3.1.0]hexanyl-(4-bromo-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine.
What is the SMILES notation for [3-bicyclo[3.1.0]hexanyl-(4-bromo-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine?
The canonical SMILES for [3-bicyclo[3.1.0]hexanyl-(4-bromo-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine is CC(C)n1ncc(Br)c1C(NN)C1CC2CC2C1.
What is the InChIKey of [3-bicyclo[3.1.0]hexanyl-(4-bromo-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine?
The InChIKey is XHRLAHNMMQVRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN4/c1-7(2)18-13(11(14)6-16-18)12(17-15)10-4-8-3-9(8)5-10/h6-10,12,17H,3-5,15H2,1-2H3.
What are the key properties of [3-bicyclo[3.1.0]hexanyl-(4-bromo-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine?
[3-bicyclo[3.1.0]hexanyl-(4-bromo-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine has a molecular weight of 313.24 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bicyclo[3.1.0]hexanyl-(4-bromo-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine is sourced from PubChem (CID 105336967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).