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

C11H21BrN4O — CID 105206281

IUPAC[1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-4-methoxybutan-2-yl]hydrazine
SMILESCCn1nc(C)c(Br)c1CC(CCOC)NN
InChIInChI=1S/C11H21BrN4O/c1-4-16-10(11(12)8(2)15-16)7-9(14-13)5-6-17-3/h9,14H,4-7,13H2,1-3H3
InChIKeyTUQMGYSCHBDVFC-UHFFFAOYSA-N
MW305.22 g/mol
LogP1.38
Rot. Bonds7

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

[1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-4-methoxybutan-2-yl]hydrazine (PubChem CID 105206281) has the molecular formula C11H21BrN4O and a molecular weight of 305.22 g/mol. Its IUPAC name is [1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-4-methoxybutan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-4-methoxybutan-2-yl]hydrazine
PubChem CID105206281
Molecular FormulaC11H21BrN4O
Molecular Weight305.22 g/mol
Exact Mass304.09
IUPAC Name[1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-4-methoxybutan-2-yl]hydrazine
SMILESCCn1nc(C)c(Br)c1CC(CCOC)NN
InChIInChI=1S/C11H21BrN4O/c1-4-16-10(11(12)8(2)15-16)7-9(14-13)5-6-17-3/h9,14H,4-7,13H2,1-3H3
InChIKeyTUQMGYSCHBDVFC-UHFFFAOYSA-N
XLogP1.38
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.22
LogP ≤ 51.38
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-ethyl-3-methylpyrazol-5-yl)-3-(2-methoxyethoxy)propan-2-yl]hydrazine
CID 114033184
[1-(4-bromo-1,3-dimethylpyrazol-5-yl)-4-methoxybutan-2-yl]hydrazine
CID 105206328
[1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-(4-methylphenyl)propan-2-yl]hydrazine
CID 105211273
[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-propoxybutan-2-yl]hydrazine
CID 105317826
[1-(4-bromo-1,3-diethylpyrazol-5-yl)-5-methoxyhexan-2-yl]hydrazine
CID 105318872
[2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(1,4-dimethylpiperazin-2-yl)ethyl]hydrazine
CID 105247216
[2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methoxyphenyl)ethyl]hydrazine
CID 105190787
1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-cyclohexyl-N-methylpropan-2-amine
CID 104998031
[2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(1-ethoxycyclopentyl)ethyl]hydrazine
CID 105275656
1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-propylhexan-2-amine
CID 104998240
4-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-N-ethyl-1-N,1-N-dimethylbutane-1,3-diamine
CID 115346602

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-4-methoxybutan-2-yl]hydrazine?
The IUPAC name of [1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-4-methoxybutan-2-yl]hydrazine (CID 105206281) is [1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-4-methoxybutan-2-yl]hydrazine.
What is the SMILES notation for [1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-4-methoxybutan-2-yl]hydrazine?
The canonical SMILES for [1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-4-methoxybutan-2-yl]hydrazine is CCn1nc(C)c(Br)c1CC(CCOC)NN.
What is the InChIKey of [1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-4-methoxybutan-2-yl]hydrazine?
The InChIKey is TUQMGYSCHBDVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21BrN4O/c1-4-16-10(11(12)8(2)15-16)7-9(14-13)5-6-17-3/h9,14H,4-7,13H2,1-3H3.
What are the key properties of [1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-4-methoxybutan-2-yl]hydrazine?
[1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-4-methoxybutan-2-yl]hydrazine has a molecular weight of 305.22 g/mol, XLogP of 1.38, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-4-methoxybutan-2-yl]hydrazine is sourced from PubChem (CID 105206281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).