[1-(4-bromo-1-ethylpyrazol-5-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine

C13H21BrN6 — CID 105336257

IUPAC[1-(4-bromo-1-ethylpyrazol-5-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine
SMILESCCn1ncc(Br)c1C(Cc1c(C)nn(C)c1C)NN
InChIInChI=1S/C13H21BrN6/c1-5-20-13(11(14)7-16-20)12(17-15)6-10-8(2)18-19(4)9(10)3/h7,12,17H,5-6,15H2,1-4H3
InChIKeyQTEFRBGKKDUWKM-UHFFFAOYSA-N
MW341.26 g/mol
LogP1.76
Rot. Bonds5

About [1-(4-bromo-1-ethylpyrazol-5-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine

[1-(4-bromo-1-ethylpyrazol-5-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine (PubChem CID 105336257) has the molecular formula C13H21BrN6 and a molecular weight of 341.26 g/mol. Its IUPAC name is [1-(4-bromo-1-ethylpyrazol-5-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(4-bromo-1-ethylpyrazol-5-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine
PubChem CID105336257
Molecular FormulaC13H21BrN6
Molecular Weight341.26 g/mol
Exact Mass340.10
IUPAC Name[1-(4-bromo-1-ethylpyrazol-5-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine
SMILESCCn1ncc(Br)c1C(Cc1c(C)nn(C)c1C)NN
InChIInChI=1S/C13H21BrN6/c1-5-20-13(11(14)7-16-20)12(17-15)6-10-8(2)18-19(4)9(10)3/h7,12,17H,5-6,15H2,1-4H3
InChIKeyQTEFRBGKKDUWKM-UHFFFAOYSA-N
XLogP1.76
TPSA73.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.26
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-chloro-1-ethylpyrazol-5-yl)-N-ethyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105183138
3-(4-bromo-1-ethylpyrazol-5-yl)-N,N-diethyl-3-hydrazinylpropan-1-amine
CID 105244143
[1-(4-bromo-1-ethylpyrazol-5-yl)-2-(2-chlorophenyl)ethyl]hydrazine
CID 105209581
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105186707
[1-(4-bromo-1-ethylpyrazol-5-yl)-4-methoxybutyl]hydrazine
CID 105225084
[1-(1-propylpyrazol-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propyl]hydrazine
CID 105288593
[1-(4-bromo-1-ethylpyrazol-5-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]hydrazine
CID 103477762
1-(3-ethyltriazol-4-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 114213625
[(4-bromo-1-ethylpyrazol-5-yl)-pyrimidin-5-ylmethyl]hydrazine
CID 102924309
[1-(4-bromo-1-propylpyrazol-5-yl)-2-propan-2-yloxyethyl]hydrazine
CID 105336566
1-(4-bromo-1-ethylpyrazol-5-yl)-1-(1,5-dimethylpyrazol-3-yl)-N-methylmethanamine
CID 114219349
[1-(3-methylthiophen-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine
CID 105322494

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromo-1-ethylpyrazol-5-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine?
The IUPAC name of [1-(4-bromo-1-ethylpyrazol-5-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine (CID 105336257) is [1-(4-bromo-1-ethylpyrazol-5-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine.
What is the SMILES notation for [1-(4-bromo-1-ethylpyrazol-5-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine?
The canonical SMILES for [1-(4-bromo-1-ethylpyrazol-5-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine is CCn1ncc(Br)c1C(Cc1c(C)nn(C)c1C)NN.
What is the InChIKey of [1-(4-bromo-1-ethylpyrazol-5-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine?
The InChIKey is QTEFRBGKKDUWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN6/c1-5-20-13(11(14)7-16-20)12(17-15)6-10-8(2)18-19(4)9(10)3/h7,12,17H,5-6,15H2,1-4H3.
What are the key properties of [1-(4-bromo-1-ethylpyrazol-5-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine?
[1-(4-bromo-1-ethylpyrazol-5-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine has a molecular weight of 341.26 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromo-1-ethylpyrazol-5-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine is sourced from PubChem (CID 105336257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).