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

C14H18Br2N4O — CID 105317885

IUPAC[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(3-bromo-4-methoxyphenyl)ethyl]hydrazine
SMILESCOc1ccc(C(Cc2c(Br)c(C)nn2C)NN)cc1Br
InChIInChI=1S/C14H18Br2N4O/c1-8-14(16)12(20(2)19-8)7-11(18-17)9-4-5-13(21-3)10(15)6-9/h4-6,11,18H,7,17H2,1-3H3
InChIKeyXBAPBKJOXCAADJ-UHFFFAOYSA-N
MW418.13 g/mol
LogP3.01
Rot. Bonds5

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

[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(3-bromo-4-methoxyphenyl)ethyl]hydrazine (PubChem CID 105317885) has the molecular formula C14H18Br2N4O and a molecular weight of 418.13 g/mol. Its IUPAC name is [2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(3-bromo-4-methoxyphenyl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(3-bromo-4-methoxyphenyl)ethyl]hydrazine
PubChem CID105317885
Molecular FormulaC14H18Br2N4O
Molecular Weight418.13 g/mol
Exact Mass415.98
IUPAC Name[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(3-bromo-4-methoxyphenyl)ethyl]hydrazine
SMILESCOc1ccc(C(Cc2c(Br)c(C)nn2C)NN)cc1Br
InChIInChI=1S/C14H18Br2N4O/c1-8-14(16)12(20(2)19-8)7-11(18-17)9-4-5-13(21-3)10(15)6-9/h4-6,11,18H,7,17H2,1-3H3
InChIKeyXBAPBKJOXCAADJ-UHFFFAOYSA-N
XLogP3.01
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.13
LogP ≤ 53.01
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-(3-bromo-4-methoxyphenyl)-2-(2,5-dimethylpyrazol-3-yl)ethyl]hydrazine
CID 105315855
[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-pyridin-4-ylethyl]hydrazine
CID 105196448
[1-(3-bromo-4-methoxyphenyl)-2-(2,6-dimethylphenyl)ethyl]hydrazine
CID 105329211
[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3,4-dimethylphenyl)ethyl]hydrazine
CID 105314872
[1-(3-bromo-4-methoxyphenyl)-2-(2-bromophenyl)ethyl]hydrazine
CID 105283965
[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(5-bromo-2-methylphenyl)ethyl]hydrazine
CID 105317802
[1-(3-bromo-4-methoxyphenyl)-2-(2,6-dichlorophenyl)ethyl]hydrazine
CID 105293177
[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(4-bromothiophen-2-yl)ethyl]hydrazine
CID 105222450
[1-(3-bromo-4-methoxyphenyl)-2-(4-fluoro-2-methylphenyl)ethyl]hydrazine
CID 105340895
[1-(3-bromo-4-methoxyphenyl)-3-(2-methylpyrazol-3-yl)propyl]hydrazine
CID 103026148
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(3,4-dichlorophenyl)-N-methylethanamine
CID 81492694
[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2-bromo-3-methylphenyl)ethyl]hydrazine
CID 107986094

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(3-bromo-4-methoxyphenyl)ethyl]hydrazine?
The IUPAC name of [2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(3-bromo-4-methoxyphenyl)ethyl]hydrazine (CID 105317885) is [2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(3-bromo-4-methoxyphenyl)ethyl]hydrazine.
What is the SMILES notation for [2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(3-bromo-4-methoxyphenyl)ethyl]hydrazine?
The canonical SMILES for [2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(3-bromo-4-methoxyphenyl)ethyl]hydrazine is COc1ccc(C(Cc2c(Br)c(C)nn2C)NN)cc1Br.
What is the InChIKey of [2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(3-bromo-4-methoxyphenyl)ethyl]hydrazine?
The InChIKey is XBAPBKJOXCAADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Br2N4O/c1-8-14(16)12(20(2)19-8)7-11(18-17)9-4-5-13(21-3)10(15)6-9/h4-6,11,18H,7,17H2,1-3H3.
What are the key properties of [2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(3-bromo-4-methoxyphenyl)ethyl]hydrazine?
[2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(3-bromo-4-methoxyphenyl)ethyl]hydrazine has a molecular weight of 418.13 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(3-bromo-4-methoxyphenyl)ethyl]hydrazine is sourced from PubChem (CID 105317885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).