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

C13H15BrClFN4O — CID 105215480

IUPAC[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-chloro-4-fluorophenyl)methyl]hydrazine
SMILESCOCCn1ncc(Br)c1C(NN)c1ccc(F)cc1Cl
InChIInChI=1S/C13H15BrClFN4O/c1-21-5-4-20-13(10(14)7-18-20)12(19-17)9-3-2-8(16)6-11(9)15/h2-3,6-7,12,19H,4-5,17H2,1H3
InChIKeyFFIYXQQDUMSZCH-UHFFFAOYSA-N
MW377.65 g/mol
LogP2.64
Rot. Bonds6

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

[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-chloro-4-fluorophenyl)methyl]hydrazine (PubChem CID 105215480) has the molecular formula C13H15BrClFN4O and a molecular weight of 377.65 g/mol. Its IUPAC name is [[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-chloro-4-fluorophenyl)methyl]hydrazine.

Molecular Properties

Compound Name[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-chloro-4-fluorophenyl)methyl]hydrazine
PubChem CID105215480
Molecular FormulaC13H15BrClFN4O
Molecular Weight377.65 g/mol
Exact Mass376.01
IUPAC Name[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-chloro-4-fluorophenyl)methyl]hydrazine
SMILESCOCCn1ncc(Br)c1C(NN)c1ccc(F)cc1Cl
InChIInChI=1S/C13H15BrClFN4O/c1-21-5-4-20-13(10(14)7-18-20)12(19-17)9-3-2-8(16)6-11(9)15/h2-3,6-7,12,19H,4-5,17H2,1H3
InChIKeyFFIYXQQDUMSZCH-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]-(2,4-dichlorophenyl)methyl]hydrazine
CID 105337278
[(2-bromo-4-fluorophenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methyl]hydrazine
CID 105342355
[(4-bromo-2-fluorophenyl)-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]methyl]hydrazine
CID 105281020
[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,6-dichlorophenyl)methyl]hydrazine
CID 105337323
[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-chloro-2-pyridinyl)methyl]hydrazine
CID 103445650
[(2-bromo-3-fluorophenyl)-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]methyl]hydrazine
CID 105337306
1-(2-bromo-5-fluorophenyl)-1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N-methylmethanamine
CID 105054492
[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-methylphenyl)methyl]hydrazine
CID 105200540
[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(4-methoxyphenyl)methyl]hydrazine
CID 105190947
(2-bromo-5-fluorophenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanamine
CID 105054667
[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-bromo-2-methylphenyl)methyl]hydrazine
CID 105337364
[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-chloro-5-methylphenyl)methyl]hydrazine
CID 105337269

Frequently Asked Questions

What is the IUPAC name of [[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-chloro-4-fluorophenyl)methyl]hydrazine?
The IUPAC name of [[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-chloro-4-fluorophenyl)methyl]hydrazine (CID 105215480) is [[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-chloro-4-fluorophenyl)methyl]hydrazine.
What is the SMILES notation for [[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-chloro-4-fluorophenyl)methyl]hydrazine?
The canonical SMILES for [[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-chloro-4-fluorophenyl)methyl]hydrazine is COCCn1ncc(Br)c1C(NN)c1ccc(F)cc1Cl.
What is the InChIKey of [[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-chloro-4-fluorophenyl)methyl]hydrazine?
The InChIKey is FFIYXQQDUMSZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrClFN4O/c1-21-5-4-20-13(10(14)7-18-20)12(19-17)9-3-2-8(16)6-11(9)15/h2-3,6-7,12,19H,4-5,17H2,1H3.
What are the key properties of [[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-chloro-4-fluorophenyl)methyl]hydrazine?
[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-chloro-4-fluorophenyl)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 [[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-chloro-4-fluorophenyl)methyl]hydrazine is sourced from PubChem (CID 105215480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).