[(2-bromo-6-fluorophenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methyl]hydrazine

C13H15BrClFN4O — CID 105280354

IUPAC[(2-bromo-6-fluorophenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methyl]hydrazine
SMILESCOCCn1ncc(Cl)c1C(NN)c1c(F)cccc1Br
InChIInChI=1S/C13H15BrClFN4O/c1-21-6-5-20-13(9(15)7-18-20)12(19-17)11-8(14)3-2-4-10(11)16/h2-4,7,12,19H,5-6,17H2,1H3
InChIKeyKBRXASJBXPUDFB-UHFFFAOYSA-N
MW377.65 g/mol
LogP2.64
Rot. Bonds6

About [(2-bromo-6-fluorophenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methyl]hydrazine

[(2-bromo-6-fluorophenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methyl]hydrazine (PubChem CID 105280354) has the molecular formula C13H15BrClFN4O and a molecular weight of 377.65 g/mol. Its IUPAC name is [(2-bromo-6-fluorophenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methyl]hydrazine.

Molecular Properties

Compound Name[(2-bromo-6-fluorophenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methyl]hydrazine
PubChem CID105280354
Molecular FormulaC13H15BrClFN4O
Molecular Weight377.65 g/mol
Exact Mass376.01
IUPAC Name[(2-bromo-6-fluorophenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methyl]hydrazine
SMILESCOCCn1ncc(Cl)c1C(NN)c1c(F)cccc1Br
InChIInChI=1S/C13H15BrClFN4O/c1-21-6-5-20-13(9(15)7-18-20)12(19-17)11-8(14)3-2-4-10(11)16/h2-4,7,12,19H,5-6,17H2,1H3
InChIKeyKBRXASJBXPUDFB-UHFFFAOYSA-N
XLogP2.64
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.65
LogP ≤ 52.64
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

[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,6-dichlorophenyl)methyl]hydrazine
CID 105337323
1-(2-bromo-6-fluorophenyl)-1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-methylmethanamine
CID 114887043
[(2-bromo-4-fluorophenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methyl]hydrazine
CID 105342355
(2-chloro-6-fluorophenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanamine
CID 105054549
[(2-bromo-6-fluorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]hydrazine
CID 105280420
[(2-bromo-3-fluorophenyl)-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]methyl]hydrazine
CID 105337306
[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4,5-dibromothiophen-2-yl)methyl]hydrazine
CID 105342423
4-bromo-2-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-hydrazinylmethyl]aniline
CID 105263440
[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-chloro-4-fluorophenyl)methyl]hydrazine
CID 105215480
[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,4-dichlorophenyl)methyl]hydrazine
CID 105337278
[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-bromo-2-methylphenyl)methyl]hydrazine
CID 105337364
[1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2,2-difluoroethyl]hydrazine
CID 105265036

Frequently Asked Questions

What is the IUPAC name of [(2-bromo-6-fluorophenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methyl]hydrazine?
The IUPAC name of [(2-bromo-6-fluorophenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methyl]hydrazine (CID 105280354) is [(2-bromo-6-fluorophenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methyl]hydrazine.
What is the SMILES notation for [(2-bromo-6-fluorophenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methyl]hydrazine?
The canonical SMILES for [(2-bromo-6-fluorophenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methyl]hydrazine is COCCn1ncc(Cl)c1C(NN)c1c(F)cccc1Br.
What is the InChIKey of [(2-bromo-6-fluorophenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methyl]hydrazine?
The InChIKey is KBRXASJBXPUDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrClFN4O/c1-21-6-5-20-13(9(15)7-18-20)12(19-17)11-8(14)3-2-4-10(11)16/h2-4,7,12,19H,5-6,17H2,1H3.
What are the key properties of [(2-bromo-6-fluorophenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methyl]hydrazine?
[(2-bromo-6-fluorophenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methyl]hydrazine has a molecular weight of 377.65 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-bromo-6-fluorophenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methyl]hydrazine is sourced from PubChem (CID 105280354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).