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

C12H23BrN4O — CID 105317826

IUPAC[1-(4-bromo-1,3-dimethylpyrazol-5-yl)-4-propoxybutan-2-yl]hydrazine
SMILESCCCOCCC(Cc1c(Br)c(C)nn1C)NN
InChIInChI=1S/C12H23BrN4O/c1-4-6-18-7-5-10(15-14)8-11-12(13)9(2)16-17(11)3/h10,15H,4-8,14H2,1-3H3
InChIKeyBNOTZORTAANPFZ-UHFFFAOYSA-N
MW319.25 g/mol
LogP1.68
Rot. Bonds8

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

[1-(4-bromo-1,3-dimethylpyrazol-5-yl)-4-propoxybutan-2-yl]hydrazine (PubChem CID 105317826) has the molecular formula C12H23BrN4O and a molecular weight of 319.25 g/mol. Its IUPAC name is [1-(4-bromo-1,3-dimethylpyrazol-5-yl)-4-propoxybutan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(4-bromo-1,3-dimethylpyrazol-5-yl)-4-propoxybutan-2-yl]hydrazine
PubChem CID105317826
Molecular FormulaC12H23BrN4O
Molecular Weight319.25 g/mol
Exact Mass318.11
IUPAC Name[1-(4-bromo-1,3-dimethylpyrazol-5-yl)-4-propoxybutan-2-yl]hydrazine
SMILESCCCOCCC(Cc1c(Br)c(C)nn1C)NN
InChIInChI=1S/C12H23BrN4O/c1-4-6-18-7-5-10(15-14)8-11-12(13)9(2)16-17(11)3/h10,15H,4-8,14H2,1-3H3
InChIKeyBNOTZORTAANPFZ-UHFFFAOYSA-N
XLogP1.68
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.25
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-1,3-dimethylpyrazol-5-yl)-4-methoxybutan-2-yl]hydrazine
CID 105206328
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-cycloheptylpropan-2-yl]hydrazine
CID 105317779
[1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-4-methoxybutan-2-yl]hydrazine
CID 105206281
[1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(4-fluorophenyl)propan-2-yl]hydrazine
CID 105198272
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-ethyl-4-propoxybutan-2-amine
CID 105158790
1-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyloctan-2-amine
CID 105000232
[1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(2,4-dichlorophenyl)propan-2-yl]hydrazine
CID 105200126
[1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-methoxy-3-methylbutan-2-yl]hydrazine
CID 105245331
[1-(1-methyltriazol-4-yl)-4-propoxybutan-2-yl]hydrazine
CID 107066668
[1-(2-ethyl-1,2,4-triazol-3-yl)-4-propoxybutan-2-yl]hydrazine
CID 105318515

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromo-1,3-dimethylpyrazol-5-yl)-4-propoxybutan-2-yl]hydrazine?
The IUPAC name of [1-(4-bromo-1,3-dimethylpyrazol-5-yl)-4-propoxybutan-2-yl]hydrazine (CID 105317826) is [1-(4-bromo-1,3-dimethylpyrazol-5-yl)-4-propoxybutan-2-yl]hydrazine.
What is the SMILES notation for [1-(4-bromo-1,3-dimethylpyrazol-5-yl)-4-propoxybutan-2-yl]hydrazine?
The canonical SMILES for [1-(4-bromo-1,3-dimethylpyrazol-5-yl)-4-propoxybutan-2-yl]hydrazine is CCCOCCC(Cc1c(Br)c(C)nn1C)NN.
What is the InChIKey of [1-(4-bromo-1,3-dimethylpyrazol-5-yl)-4-propoxybutan-2-yl]hydrazine?
The InChIKey is BNOTZORTAANPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23BrN4O/c1-4-6-18-7-5-10(15-14)8-11-12(13)9(2)16-17(11)3/h10,15H,4-8,14H2,1-3H3.
What are the key properties of [1-(4-bromo-1,3-dimethylpyrazol-5-yl)-4-propoxybutan-2-yl]hydrazine?
[1-(4-bromo-1,3-dimethylpyrazol-5-yl)-4-propoxybutan-2-yl]hydrazine has a molecular weight of 319.25 g/mol, XLogP of 1.68, 8 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)-4-propoxybutan-2-yl]hydrazine is sourced from PubChem (CID 105317826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).