[1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-methoxy-3-methylbutan-2-yl]hydrazine

C11H21BrN4O — CID 105245331

IUPAC[1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-methoxy-3-methylbutan-2-yl]hydrazine
SMILESCOC(C)(C)C(Cc1c(Br)c(C)nn1C)NN
InChIInChI=1S/C11H21BrN4O/c1-7-10(12)8(16(4)15-7)6-9(14-13)11(2,3)17-5/h9,14H,6,13H2,1-5H3
InChIKeyXNKDXTHEJMWTNE-UHFFFAOYSA-N
MW305.22 g/mol
LogP1.29
Rot. Bonds5

About [1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-methoxy-3-methylbutan-2-yl]hydrazine

[1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-methoxy-3-methylbutan-2-yl]hydrazine (PubChem CID 105245331) has the molecular formula C11H21BrN4O and a molecular weight of 305.22 g/mol. Its IUPAC name is [1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-methoxy-3-methylbutan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-methoxy-3-methylbutan-2-yl]hydrazine
PubChem CID105245331
Molecular FormulaC11H21BrN4O
Molecular Weight305.22 g/mol
Exact Mass304.09
IUPAC Name[1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-methoxy-3-methylbutan-2-yl]hydrazine
SMILESCOC(C)(C)C(Cc1c(Br)c(C)nn1C)NN
InChIInChI=1S/C11H21BrN4O/c1-7-10(12)8(16(4)15-7)6-9(14-13)11(2,3)17-5/h9,14H,6,13H2,1-5H3
InChIKeyXNKDXTHEJMWTNE-UHFFFAOYSA-N
XLogP1.29
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.22
LogP ≤ 51.29
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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Related Compounds

[1-(4-bromo-1,3-dimethylpyrazol-5-yl)-4-methoxybutan-2-yl]hydrazine
CID 105206328
[1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(4-fluorophenyl)propan-2-yl]hydrazine
CID 105198272
3-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-hydrazinyl-N,N-dimethylpropan-1-amine
CID 105244714
[1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(4-bromophenyl)propan-2-yl]hydrazine
CID 105195516
1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-N,3-N-diethyl-2-N,3-dimethylpentane-2,3-diamine
CID 79058069
[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(3-bromo-4-methoxyphenyl)ethyl]hydrazine
CID 105317885
[1-(4-bromo-1,3-dimethylpyrazol-5-yl)-4-propoxybutan-2-yl]hydrazine
CID 105317826
1-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-N-ethyl-3-N,3-N,3-trimethylpentane-2,3-diamine
CID 79064714
1-(4-bromo-1,3-dimethylpyrazol-5-yl)-4,4-dimethylpentane-2,3-diol
CID 103457086
[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2-iodophenyl)ethyl]hydrazine
CID 105317823
[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-pyridin-4-ylethyl]hydrazine
CID 105196448
1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-methyl-3-methylsulfonyl-N-propylbutan-2-amine
CID 105000204

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-methoxy-3-methylbutan-2-yl]hydrazine?
The IUPAC name of [1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-methoxy-3-methylbutan-2-yl]hydrazine (CID 105245331) is [1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-methoxy-3-methylbutan-2-yl]hydrazine.
What is the SMILES notation for [1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-methoxy-3-methylbutan-2-yl]hydrazine?
The canonical SMILES for [1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-methoxy-3-methylbutan-2-yl]hydrazine is COC(C)(C)C(Cc1c(Br)c(C)nn1C)NN.
What is the InChIKey of [1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-methoxy-3-methylbutan-2-yl]hydrazine?
The InChIKey is XNKDXTHEJMWTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21BrN4O/c1-7-10(12)8(16(4)15-7)6-9(14-13)11(2,3)17-5/h9,14H,6,13H2,1-5H3.
What are the key properties of [1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-methoxy-3-methylbutan-2-yl]hydrazine?
[1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-methoxy-3-methylbutan-2-yl]hydrazine has a molecular weight of 305.22 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-methoxy-3-methylbutan-2-yl]hydrazine is sourced from PubChem (CID 105245331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).