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

C14H19BrN4 — CID 105284541

IUPAC[2-(3-bromophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine
SMILESCc1nn(C)c(C)c1C(Cc1cccc(Br)c1)NN
InChIInChI=1S/C14H19BrN4/c1-9-14(10(2)19(3)18-9)13(17-16)8-11-5-4-6-12(15)7-11/h4-7,13,17H,8,16H2,1-3H3
InChIKeyBIENVVWQSBOHFJ-UHFFFAOYSA-N
MW323.24 g/mol
LogP2.55
Rot. Bonds4

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

[2-(3-bromophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine (PubChem CID 105284541) has the molecular formula C14H19BrN4 and a molecular weight of 323.24 g/mol. Its IUPAC name is [2-(3-bromophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(3-bromophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine
PubChem CID105284541
Molecular FormulaC14H19BrN4
Molecular Weight323.24 g/mol
Exact Mass322.08
IUPAC Name[2-(3-bromophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine
SMILESCc1nn(C)c(C)c1C(Cc1cccc(Br)c1)NN
InChIInChI=1S/C14H19BrN4/c1-9-14(10(2)19(3)18-9)13(17-16)8-11-5-4-6-12(15)7-11/h4-7,13,17H,8,16H2,1-3H3
InChIKeyBIENVVWQSBOHFJ-UHFFFAOYSA-N
XLogP2.55
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.24
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

[2-(4-ethylphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine
CID 105287881
4-[2-(3-bromophenyl)-1-hydrazinylethyl]-1-methylpyrazol-5-amine
CID 105230843
[2-(3-bromophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethyl]hydrazine
CID 105284614
[1-(4-bromo-2,6-difluorophenyl)-2-(3-bromophenyl)ethyl]hydrazine
CID 105284643
2-(4-bromophenyl)-N-ethyl-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105088920
N-[2-(3-fluorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 105095880
[2-(3-bromophenyl)-1-(5-methylpyrazin-2-yl)ethyl]hydrazine
CID 105284583
2-(3-bromophenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanamine
CID 114219129
[2-(2-chloro-4-fluorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine
CID 105295191
[2-(3-bromophenyl)-1-(2-propylpyrazol-3-yl)ethyl]hydrazine
CID 105202686
[2-(1,3-benzothiazol-2-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine
CID 105325079
5-[(3-bromophenyl)methoxy]-1,3-dimethylpyrazol-4-amine
CID 82828534

Frequently Asked Questions

What is the IUPAC name of [2-(3-bromophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine?
The IUPAC name of [2-(3-bromophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine (CID 105284541) is [2-(3-bromophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(3-bromophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine?
The canonical SMILES for [2-(3-bromophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine is Cc1nn(C)c(C)c1C(Cc1cccc(Br)c1)NN.
What is the InChIKey of [2-(3-bromophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine?
The InChIKey is BIENVVWQSBOHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN4/c1-9-14(10(2)19(3)18-9)13(17-16)8-11-5-4-6-12(15)7-11/h4-7,13,17H,8,16H2,1-3H3.
What are the key properties of [2-(3-bromophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine?
[2-(3-bromophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine has a molecular weight of 323.24 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-bromophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine is sourced from PubChem (CID 105284541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).