[1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-3-methoxy-3-methylbutyl]hydrazine

C12H23BrN4O — CID 103025491

IUPAC[1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-3-methoxy-3-methylbutyl]hydrazine
SMILESCOC(C)(C)CC(NN)c1c(Br)cnn1C(C)C
InChIInChI=1S/C12H23BrN4O/c1-8(2)17-11(9(13)7-15-17)10(16-14)6-12(3,4)18-5/h7-8,10,16H,6,14H2,1-5H3
InChIKeyBEBFJVUUKWPQKU-UHFFFAOYSA-N
MW319.25 g/mol
LogP2.55
Rot. Bonds6

About [1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-3-methoxy-3-methylbutyl]hydrazine

[1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-3-methoxy-3-methylbutyl]hydrazine (PubChem CID 103025491) has the molecular formula C12H23BrN4O and a molecular weight of 319.25 g/mol. Its IUPAC name is [1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-3-methoxy-3-methylbutyl]hydrazine.

Molecular Properties

Compound Name[1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-3-methoxy-3-methylbutyl]hydrazine
PubChem CID103025491
Molecular FormulaC12H23BrN4O
Molecular Weight319.25 g/mol
Exact Mass318.11
IUPAC Name[1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-3-methoxy-3-methylbutyl]hydrazine
SMILESCOC(C)(C)CC(NN)c1c(Br)cnn1C(C)C
InChIInChI=1S/C12H23BrN4O/c1-8(2)17-11(9(13)7-15-17)10(16-14)6-12(3,4)18-5/h7-8,10,16H,6,14H2,1-5H3
InChIKeyBEBFJVUUKWPQKU-UHFFFAOYSA-N
XLogP2.55
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.25
LogP ≤ 52.55
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-propan-2-ylpyrazol-5-yl)-3-methylpentyl]hydrazine
CID 105337015
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)nonylhydrazine
CID 105337039
[2-(2-bromophenyl)sulfanyl-1-(4-bromo-1-propan-2-ylpyrazol-5-yl)ethyl]hydrazine
CID 105238052
1-(4-bromo-1-methylpyrazol-5-yl)-3-methoxy-N,3-dimethylbutan-1-amine
CID 103029500
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-methoxy-2-methylpropan-1-ol
CID 114644662
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-4-methoxy-N,3-dimethylbutan-1-amine
CID 105183990
[1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-ethylbutyl]hydrazine
CID 105336913
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-3-methoxy-3-methylbutan-1-ol
CID 103027706
[1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-(3-methylphenyl)sulfanylethyl]hydrazine
CID 105237087
[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3-methoxyphenyl)methyl]hydrazine
CID 105191592
[1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-4-methylpentyl]hydrazine
CID 105207669
[1-(4-bromo-1-ethylpyrazol-5-yl)-4-methoxybutyl]hydrazine
CID 105225084

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-3-methoxy-3-methylbutyl]hydrazine?
The IUPAC name of [1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-3-methoxy-3-methylbutyl]hydrazine (CID 103025491) is [1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-3-methoxy-3-methylbutyl]hydrazine.
What is the SMILES notation for [1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-3-methoxy-3-methylbutyl]hydrazine?
The canonical SMILES for [1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-3-methoxy-3-methylbutyl]hydrazine is COC(C)(C)CC(NN)c1c(Br)cnn1C(C)C.
What is the InChIKey of [1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-3-methoxy-3-methylbutyl]hydrazine?
The InChIKey is BEBFJVUUKWPQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23BrN4O/c1-8(2)17-11(9(13)7-15-17)10(16-14)6-12(3,4)18-5/h7-8,10,16H,6,14H2,1-5H3.
What are the key properties of [1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-3-methoxy-3-methylbutyl]hydrazine?
[1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-3-methoxy-3-methylbutyl]hydrazine has a molecular weight of 319.25 g/mol, XLogP of 2.55, 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-propan-2-ylpyrazol-5-yl)-3-methoxy-3-methylbutyl]hydrazine is sourced from PubChem (CID 103025491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).