[1-(4-bromo-1-methylpyrazol-5-yl)-2,2-diethoxyethyl]hydrazine

C10H19BrN4O2 — CID 105246443

IUPAC[1-(4-bromo-1-methylpyrazol-5-yl)-2,2-diethoxyethyl]hydrazine
SMILESCCOC(OCC)C(NN)c1c(Br)cnn1C
InChIInChI=1S/C10H19BrN4O2/c1-4-16-10(17-5-2)8(14-12)9-7(11)6-13-15(9)3/h6,8,10,14H,4-5,12H2,1-3H3
InChIKeyLUVLACKYUWDXEA-UHFFFAOYSA-N
MW307.19 g/mol
LogP1.09
Rot. Bonds7

About [1-(4-bromo-1-methylpyrazol-5-yl)-2,2-diethoxyethyl]hydrazine

[1-(4-bromo-1-methylpyrazol-5-yl)-2,2-diethoxyethyl]hydrazine (PubChem CID 105246443) has the molecular formula C10H19BrN4O2 and a molecular weight of 307.19 g/mol. Its IUPAC name is [1-(4-bromo-1-methylpyrazol-5-yl)-2,2-diethoxyethyl]hydrazine.

Molecular Properties

Compound Name[1-(4-bromo-1-methylpyrazol-5-yl)-2,2-diethoxyethyl]hydrazine
PubChem CID105246443
Molecular FormulaC10H19BrN4O2
Molecular Weight307.19 g/mol
Exact Mass306.07
IUPAC Name[1-(4-bromo-1-methylpyrazol-5-yl)-2,2-diethoxyethyl]hydrazine
SMILESCCOC(OCC)C(NN)c1c(Br)cnn1C
InChIInChI=1S/C10H19BrN4O2/c1-4-16-10(17-5-2)8(14-12)9-7(11)6-13-15(9)3/h6,8,10,14H,4-5,12H2,1-3H3
InChIKeyLUVLACKYUWDXEA-UHFFFAOYSA-N
XLogP1.09
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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-methylpyrazol-5-yl)-2-ethylbutyl]hydrazine
CID 105342070
[1-(4-bromo-1-methylpyrazol-5-yl)-2-methoxypentyl]hydrazine
CID 105271805
[1-(4-bromo-1-methylpyrazol-5-yl)-2-phenylbutyl]hydrazine
CID 105342210
1-(4-bromo-1-methylpyrazol-5-yl)butylhydrazine
CID 105202210
[1-(4-bromo-1-ethylpyrazol-5-yl)-2-ethoxybutyl]hydrazine
CID 105271124
[1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethoxypropyl]hydrazine
CID 105222964
[1-(4-chloro-1-methylpyrazol-5-yl)-2-ethoxybutyl]hydrazine
CID 105271122
2-[4-bromo-5-(2-ethoxy-1-hydrazinyl-3-methylbutyl)pyrazol-1-yl]-N,N-dimethylethanamine
CID 105272360
[1-(4-bromo-1-propylpyrazol-5-yl)-2-methylpropyl]hydrazine
CID 105199703
1-(4-bromo-1-methylpyrazol-5-yl)-N-methylpropan-1-amine
CID 83840801
[1-(4-bromothiophen-3-yl)-2,2-diethoxyethyl]hydrazine
CID 105246270
1-(4-bromo-1-methylpyrazol-5-yl)-2,3-dimethyl-N-propylbutan-1-amine
CID 105053947

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromo-1-methylpyrazol-5-yl)-2,2-diethoxyethyl]hydrazine?
The IUPAC name of [1-(4-bromo-1-methylpyrazol-5-yl)-2,2-diethoxyethyl]hydrazine (CID 105246443) is [1-(4-bromo-1-methylpyrazol-5-yl)-2,2-diethoxyethyl]hydrazine.
What is the SMILES notation for [1-(4-bromo-1-methylpyrazol-5-yl)-2,2-diethoxyethyl]hydrazine?
The canonical SMILES for [1-(4-bromo-1-methylpyrazol-5-yl)-2,2-diethoxyethyl]hydrazine is CCOC(OCC)C(NN)c1c(Br)cnn1C.
What is the InChIKey of [1-(4-bromo-1-methylpyrazol-5-yl)-2,2-diethoxyethyl]hydrazine?
The InChIKey is LUVLACKYUWDXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BrN4O2/c1-4-16-10(17-5-2)8(14-12)9-7(11)6-13-15(9)3/h6,8,10,14H,4-5,12H2,1-3H3.
What are the key properties of [1-(4-bromo-1-methylpyrazol-5-yl)-2,2-diethoxyethyl]hydrazine?
[1-(4-bromo-1-methylpyrazol-5-yl)-2,2-diethoxyethyl]hydrazine has a molecular weight of 307.19 g/mol, XLogP of 1.09, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromo-1-methylpyrazol-5-yl)-2,2-diethoxyethyl]hydrazine is sourced from PubChem (CID 105246443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).