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

C11H21BrN4O — CID 103025486

IUPAC[1-(4-bromo-1-ethylpyrazol-5-yl)-3-methoxy-3-methylbutyl]hydrazine
SMILESCCn1ncc(Br)c1C(CC(C)(C)OC)NN
InChIInChI=1S/C11H21BrN4O/c1-5-16-10(8(12)7-14-16)9(15-13)6-11(2,3)17-4/h7,9,15H,5-6,13H2,1-4H3
InChIKeyMMGCLNOJAVCYOA-UHFFFAOYSA-N
MW305.22 g/mol
LogP1.99
Rot. Bonds6

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

[1-(4-bromo-1-ethylpyrazol-5-yl)-3-methoxy-3-methylbutyl]hydrazine (PubChem CID 103025486) has the molecular formula C11H21BrN4O and a molecular weight of 305.22 g/mol. Its IUPAC name is [1-(4-bromo-1-ethylpyrazol-5-yl)-3-methoxy-3-methylbutyl]hydrazine.

Molecular Properties

Compound Name[1-(4-bromo-1-ethylpyrazol-5-yl)-3-methoxy-3-methylbutyl]hydrazine
PubChem CID103025486
Molecular FormulaC11H21BrN4O
Molecular Weight305.22 g/mol
Exact Mass304.09
IUPAC Name[1-(4-bromo-1-ethylpyrazol-5-yl)-3-methoxy-3-methylbutyl]hydrazine
SMILESCCn1ncc(Br)c1C(CC(C)(C)OC)NN
InChIInChI=1S/C11H21BrN4O/c1-5-16-10(8(12)7-14-16)9(15-13)6-11(2,3)17-4/h7,9,15H,5-6,13H2,1-4H3
InChIKeyMMGCLNOJAVCYOA-UHFFFAOYSA-N
XLogP1.99
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.22
LogP ≤ 51.99
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'}

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Frequently Asked Questions

What is the IUPAC name of [1-(4-bromo-1-ethylpyrazol-5-yl)-3-methoxy-3-methylbutyl]hydrazine?
The IUPAC name of [1-(4-bromo-1-ethylpyrazol-5-yl)-3-methoxy-3-methylbutyl]hydrazine (CID 103025486) is [1-(4-bromo-1-ethylpyrazol-5-yl)-3-methoxy-3-methylbutyl]hydrazine.
What is the SMILES notation for [1-(4-bromo-1-ethylpyrazol-5-yl)-3-methoxy-3-methylbutyl]hydrazine?
The canonical SMILES for [1-(4-bromo-1-ethylpyrazol-5-yl)-3-methoxy-3-methylbutyl]hydrazine is CCn1ncc(Br)c1C(CC(C)(C)OC)NN.
What is the InChIKey of [1-(4-bromo-1-ethylpyrazol-5-yl)-3-methoxy-3-methylbutyl]hydrazine?
The InChIKey is MMGCLNOJAVCYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21BrN4O/c1-5-16-10(8(12)7-14-16)9(15-13)6-11(2,3)17-4/h7,9,15H,5-6,13H2,1-4H3.
What are the key properties of [1-(4-bromo-1-ethylpyrazol-5-yl)-3-methoxy-3-methylbutyl]hydrazine?
[1-(4-bromo-1-ethylpyrazol-5-yl)-3-methoxy-3-methylbutyl]hydrazine has a molecular weight of 305.22 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromo-1-ethylpyrazol-5-yl)-3-methoxy-3-methylbutyl]hydrazine is sourced from PubChem (CID 103025486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).