[1-(4-bromo-1-propylpyrazol-5-yl)-3-methoxy-3-methylbutyl]hydrazine

C12H23BrN4O — CID 103025489

IUPAC[1-(4-bromo-1-propylpyrazol-5-yl)-3-methoxy-3-methylbutyl]hydrazine
SMILESCCCn1ncc(Br)c1C(CC(C)(C)OC)NN
InChIInChI=1S/C12H23BrN4O/c1-5-6-17-11(9(13)8-15-17)10(16-14)7-12(2,3)18-4/h8,10,16H,5-7,14H2,1-4H3
InChIKeyRWLMSIINCRHWOL-UHFFFAOYSA-N
MW319.25 g/mol
LogP2.38
Rot. Bonds7

About [1-(4-bromo-1-propylpyrazol-5-yl)-3-methoxy-3-methylbutyl]hydrazine

[1-(4-bromo-1-propylpyrazol-5-yl)-3-methoxy-3-methylbutyl]hydrazine (PubChem CID 103025489) has the molecular formula C12H23BrN4O and a molecular weight of 319.25 g/mol. Its IUPAC name is [1-(4-bromo-1-propylpyrazol-5-yl)-3-methoxy-3-methylbutyl]hydrazine.

Molecular Properties

Compound Name[1-(4-bromo-1-propylpyrazol-5-yl)-3-methoxy-3-methylbutyl]hydrazine
PubChem CID103025489
Molecular FormulaC12H23BrN4O
Molecular Weight319.25 g/mol
Exact Mass318.11
IUPAC Name[1-(4-bromo-1-propylpyrazol-5-yl)-3-methoxy-3-methylbutyl]hydrazine
SMILESCCCn1ncc(Br)c1C(CC(C)(C)OC)NN
InChIInChI=1S/C12H23BrN4O/c1-5-6-17-11(9(13)8-15-17)10(16-14)7-12(2,3)18-4/h8,10,16H,5-7,14H2,1-4H3
InChIKeyRWLMSIINCRHWOL-UHFFFAOYSA-N
XLogP2.38
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.25
LogP ≤ 52.38
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'}

Analyze [1-(4-bromo-1-propylpyrazol-5-yl)-3-methoxy-3-methylbutyl]hydrazine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromo-1-propylpyrazol-5-yl)-3-methoxy-3-methylbutyl]hydrazine?
The IUPAC name of [1-(4-bromo-1-propylpyrazol-5-yl)-3-methoxy-3-methylbutyl]hydrazine (CID 103025489) is [1-(4-bromo-1-propylpyrazol-5-yl)-3-methoxy-3-methylbutyl]hydrazine.
What is the SMILES notation for [1-(4-bromo-1-propylpyrazol-5-yl)-3-methoxy-3-methylbutyl]hydrazine?
The canonical SMILES for [1-(4-bromo-1-propylpyrazol-5-yl)-3-methoxy-3-methylbutyl]hydrazine is CCCn1ncc(Br)c1C(CC(C)(C)OC)NN.
What is the InChIKey of [1-(4-bromo-1-propylpyrazol-5-yl)-3-methoxy-3-methylbutyl]hydrazine?
The InChIKey is RWLMSIINCRHWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23BrN4O/c1-5-6-17-11(9(13)8-15-17)10(16-14)7-12(2,3)18-4/h8,10,16H,5-7,14H2,1-4H3.
What are the key properties of [1-(4-bromo-1-propylpyrazol-5-yl)-3-methoxy-3-methylbutyl]hydrazine?
[1-(4-bromo-1-propylpyrazol-5-yl)-3-methoxy-3-methylbutyl]hydrazine has a molecular weight of 319.25 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromo-1-propylpyrazol-5-yl)-3-methoxy-3-methylbutyl]hydrazine is sourced from PubChem (CID 103025489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).