[1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-(2-methoxyethoxy)propan-2-yl]hydrazine

C12H23BrN4O2 — CID 114033184

IUPAC[1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-(2-methoxyethoxy)propan-2-yl]hydrazine
SMILESCCn1nc(C)c(Br)c1CC(COCCOC)NN
InChIInChI=1S/C12H23BrN4O2/c1-4-17-11(12(13)9(2)16-17)7-10(15-14)8-19-6-5-18-3/h10,15H,4-8,14H2,1-3H3
InChIKeyKHKCGRDFEOCOIJ-UHFFFAOYSA-N
MW335.25 g/mol
LogP1.01
Rot. Bonds9

About [1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-(2-methoxyethoxy)propan-2-yl]hydrazine

[1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-(2-methoxyethoxy)propan-2-yl]hydrazine (PubChem CID 114033184) has the molecular formula C12H23BrN4O2 and a molecular weight of 335.25 g/mol. Its IUPAC name is [1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-(2-methoxyethoxy)propan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-(2-methoxyethoxy)propan-2-yl]hydrazine
PubChem CID114033184
Molecular FormulaC12H23BrN4O2
Molecular Weight335.25 g/mol
Exact Mass334.10
IUPAC Name[1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-(2-methoxyethoxy)propan-2-yl]hydrazine
SMILESCCn1nc(C)c(Br)c1CC(COCCOC)NN
InChIInChI=1S/C12H23BrN4O2/c1-4-17-11(12(13)9(2)16-17)7-10(15-14)8-19-6-5-18-3/h10,15H,4-8,14H2,1-3H3
InChIKeyKHKCGRDFEOCOIJ-UHFFFAOYSA-N
XLogP1.01
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-ethyl-3-methylpyrazol-5-yl)-4-methoxybutan-2-yl]hydrazine
CID 105206281
[1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-(4-methylphenyl)propan-2-yl]hydrazine
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[1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-propoxypropan-2-yl]hydrazine
CID 105209898
[1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-cyclohexylpropan-2-yl]hydrazine
CID 105316689
[1-(4-bromo-1,3-dimethylpyrazol-5-yl)-4-methoxybutan-2-yl]hydrazine
CID 105206328
3-amino-1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-4-methoxybutan-2-one
CID 116593988
1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-N-methyl-3-[(2-methylpropan-2-yl)oxy]propan-2-amine
CID 105159659
1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-methoxy-N-methylbutan-2-amine
CID 79616805
[2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methoxyphenyl)ethyl]hydrazine
CID 105190787
2-[2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-hydrazinylethyl]aniline
CID 105223757
1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-N-methylpent-4-en-2-amine
CID 116660574
1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-methoxy-4-methylpentan-2-amine
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Frequently Asked Questions

What is the IUPAC name of [1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-(2-methoxyethoxy)propan-2-yl]hydrazine?
The IUPAC name of [1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-(2-methoxyethoxy)propan-2-yl]hydrazine (CID 114033184) is [1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-(2-methoxyethoxy)propan-2-yl]hydrazine.
What is the SMILES notation for [1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-(2-methoxyethoxy)propan-2-yl]hydrazine?
The canonical SMILES for [1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-(2-methoxyethoxy)propan-2-yl]hydrazine is CCn1nc(C)c(Br)c1CC(COCCOC)NN.
What is the InChIKey of [1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-(2-methoxyethoxy)propan-2-yl]hydrazine?
The InChIKey is KHKCGRDFEOCOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23BrN4O2/c1-4-17-11(12(13)9(2)16-17)7-10(15-14)8-19-6-5-18-3/h10,15H,4-8,14H2,1-3H3.
What are the key properties of [1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-(2-methoxyethoxy)propan-2-yl]hydrazine?
[1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-(2-methoxyethoxy)propan-2-yl]hydrazine has a molecular weight of 335.25 g/mol, XLogP of 1.01, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-(2-methoxyethoxy)propan-2-yl]hydrazine is sourced from PubChem (CID 114033184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).