[1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-3-methoxy-3-methylbutyl]hydrazine

C12H23BrN4O2 — CID 103025493

IUPAC[1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-3-methoxy-3-methylbutyl]hydrazine
SMILESCOCCn1ncc(Br)c1C(CC(C)(C)OC)NN
InChIInChI=1S/C12H23BrN4O2/c1-12(2,19-4)7-10(16-14)11-9(13)8-15-17(11)5-6-18-3/h8,10,16H,5-7,14H2,1-4H3
InChIKeyZJBBSPJZASOLBL-UHFFFAOYSA-N
MW335.25 g/mol
LogP1.61
Rot. Bonds8

About [1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-3-methoxy-3-methylbutyl]hydrazine

[1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-3-methoxy-3-methylbutyl]hydrazine (PubChem CID 103025493) has the molecular formula C12H23BrN4O2 and a molecular weight of 335.25 g/mol. Its IUPAC name is [1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-3-methoxy-3-methylbutyl]hydrazine.

Molecular Properties

Compound Name[1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-3-methoxy-3-methylbutyl]hydrazine
PubChem CID103025493
Molecular FormulaC12H23BrN4O2
Molecular Weight335.25 g/mol
Exact Mass334.10
IUPAC Name[1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-3-methoxy-3-methylbutyl]hydrazine
SMILESCOCCn1ncc(Br)c1C(CC(C)(C)OC)NN
InChIInChI=1S/C12H23BrN4O2/c1-12(2,19-4)7-10(16-14)11-9(13)8-15-17(11)5-6-18-3/h8,10,16H,5-7,14H2,1-4H3
InChIKeyZJBBSPJZASOLBL-UHFFFAOYSA-N
XLogP1.61
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-3-methoxy-3-methylbutyl]hydrazine?
The IUPAC name of [1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-3-methoxy-3-methylbutyl]hydrazine (CID 103025493) is [1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-3-methoxy-3-methylbutyl]hydrazine.
What is the SMILES notation for [1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-3-methoxy-3-methylbutyl]hydrazine?
The canonical SMILES for [1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-3-methoxy-3-methylbutyl]hydrazine is COCCn1ncc(Br)c1C(CC(C)(C)OC)NN.
What is the InChIKey of [1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-3-methoxy-3-methylbutyl]hydrazine?
The InChIKey is ZJBBSPJZASOLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23BrN4O2/c1-12(2,19-4)7-10(16-14)11-9(13)8-15-17(11)5-6-18-3/h8,10,16H,5-7,14H2,1-4H3.
What are the key properties of [1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-3-methoxy-3-methylbutyl]hydrazine?
[1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-3-methoxy-3-methylbutyl]hydrazine has a molecular weight of 335.25 g/mol, XLogP of 1.61, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-3-methoxy-3-methylbutyl]hydrazine is sourced from PubChem (CID 103025493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).