3-(4-bromo-1-ethylpyrazol-5-yl)-N,N-diethyl-3-hydrazinylpropan-1-amine

C12H24BrN5 — CID 105244143

IUPAC3-(4-bromo-1-ethylpyrazol-5-yl)-N,N-diethyl-3-hydrazinylpropan-1-amine
SMILESCCN(CC)CCC(NN)c1c(Br)cnn1CC
InChIInChI=1S/C12H24BrN5/c1-4-17(5-2)8-7-11(16-14)12-10(13)9-15-18(12)6-3/h9,11,16H,4-8,14H2,1-3H3
InChIKeyJSFBTXJEYDBIGF-UHFFFAOYSA-N
MW318.26 g/mol
LogP1.90
Rot. Bonds8

About 3-(4-bromo-1-ethylpyrazol-5-yl)-N,N-diethyl-3-hydrazinylpropan-1-amine

3-(4-bromo-1-ethylpyrazol-5-yl)-N,N-diethyl-3-hydrazinylpropan-1-amine (PubChem CID 105244143) has the molecular formula C12H24BrN5 and a molecular weight of 318.26 g/mol. Its IUPAC name is 3-(4-bromo-1-ethylpyrazol-5-yl)-N,N-diethyl-3-hydrazinylpropan-1-amine.

Molecular Properties

Compound Name3-(4-bromo-1-ethylpyrazol-5-yl)-N,N-diethyl-3-hydrazinylpropan-1-amine
PubChem CID105244143
Molecular FormulaC12H24BrN5
Molecular Weight318.26 g/mol
Exact Mass317.12
IUPAC Name3-(4-bromo-1-ethylpyrazol-5-yl)-N,N-diethyl-3-hydrazinylpropan-1-amine
SMILESCCN(CC)CCC(NN)c1c(Br)cnn1CC
InChIInChI=1S/C12H24BrN5/c1-4-17(5-2)8-7-11(16-14)12-10(13)9-15-18(12)6-3/h9,11,16H,4-8,14H2,1-3H3
InChIKeyJSFBTXJEYDBIGF-UHFFFAOYSA-N
XLogP1.90
TPSA59.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.26
LogP ≤ 51.90
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-ethylpyrazol-5-yl)-4-methoxybutyl]hydrazine
CID 105225084
1-(4-bromo-1-methylpyrazol-5-yl)-N',N'-diethyl-N-methylpropane-1,3-diamine
CID 114657146
[1-(4-bromo-1-ethylpyrazol-5-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine
CID 105336257
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-3-(diethylamino)propan-1-ol
CID 114644599
1-(4-bromo-1-ethylpyrazol-5-yl)-3-(dimethylamino)propan-1-ol
CID 114645175
3-(5-bromo-3-methyltriazol-4-yl)-N,N-diethyl-3-hydrazinylpropan-1-amine
CID 106466087
[(4-bromo-1-ethylpyrazol-5-yl)-pyrimidin-5-ylmethyl]hydrazine
CID 102924309
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]butylhydrazine
CID 105202253
N,N-diethyl-3-hydrazinyl-3-(4-methoxy-1-methylpyrazol-5-yl)propan-1-amine
CID 105244142
[1-(4-bromo-1-ethylpyrazol-5-yl)-2-(2-chlorophenyl)ethyl]hydrazine
CID 105209581
[1-(4-bromo-1-ethylpyrazol-5-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]hydrazine
CID 103477762
1-(4-bromo-1-methylpyrazol-5-yl)butylhydrazine
CID 105202210

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-1-ethylpyrazol-5-yl)-N,N-diethyl-3-hydrazinylpropan-1-amine?
The IUPAC name of 3-(4-bromo-1-ethylpyrazol-5-yl)-N,N-diethyl-3-hydrazinylpropan-1-amine (CID 105244143) is 3-(4-bromo-1-ethylpyrazol-5-yl)-N,N-diethyl-3-hydrazinylpropan-1-amine.
What is the SMILES notation for 3-(4-bromo-1-ethylpyrazol-5-yl)-N,N-diethyl-3-hydrazinylpropan-1-amine?
The canonical SMILES for 3-(4-bromo-1-ethylpyrazol-5-yl)-N,N-diethyl-3-hydrazinylpropan-1-amine is CCN(CC)CCC(NN)c1c(Br)cnn1CC.
What is the InChIKey of 3-(4-bromo-1-ethylpyrazol-5-yl)-N,N-diethyl-3-hydrazinylpropan-1-amine?
The InChIKey is JSFBTXJEYDBIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24BrN5/c1-4-17(5-2)8-7-11(16-14)12-10(13)9-15-18(12)6-3/h9,11,16H,4-8,14H2,1-3H3.
What are the key properties of 3-(4-bromo-1-ethylpyrazol-5-yl)-N,N-diethyl-3-hydrazinylpropan-1-amine?
3-(4-bromo-1-ethylpyrazol-5-yl)-N,N-diethyl-3-hydrazinylpropan-1-amine has a molecular weight of 318.26 g/mol, XLogP of 1.90, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-1-ethylpyrazol-5-yl)-N,N-diethyl-3-hydrazinylpropan-1-amine is sourced from PubChem (CID 105244143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).