[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,4-dichlorophenyl)methyl]hydrazine

C13H15BrCl2N4O — CID 105337278

IUPAC[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,4-dichlorophenyl)methyl]hydrazine
SMILESCOCCn1ncc(Br)c1C(NN)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H15BrCl2N4O/c1-21-5-4-20-13(10(14)7-18-20)12(19-17)9-3-2-8(15)6-11(9)16/h2-3,6-7,12,19H,4-5,17H2,1H3
InChIKeyCDPYNQIFPLVGCZ-UHFFFAOYSA-N
MW394.10 g/mol
LogP3.15
Rot. Bonds6

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

[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,4-dichlorophenyl)methyl]hydrazine (PubChem CID 105337278) has the molecular formula C13H15BrCl2N4O and a molecular weight of 394.10 g/mol. Its IUPAC name is [[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,4-dichlorophenyl)methyl]hydrazine.

Molecular Properties

Compound Name[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,4-dichlorophenyl)methyl]hydrazine
PubChem CID105337278
Molecular FormulaC13H15BrCl2N4O
Molecular Weight394.10 g/mol
Exact Mass391.98
IUPAC Name[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,4-dichlorophenyl)methyl]hydrazine
SMILESCOCCn1ncc(Br)c1C(NN)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H15BrCl2N4O/c1-21-5-4-20-13(10(14)7-18-20)12(19-17)9-3-2-8(15)6-11(9)16/h2-3,6-7,12,19H,4-5,17H2,1H3
InChIKeyCDPYNQIFPLVGCZ-UHFFFAOYSA-N
XLogP3.15
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.10
LogP ≤ 53.15
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-chloro-4-fluorophenyl)methyl]hydrazine
CID 105215480
[(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-methylpyrazol-5-yl)-(2,4-dichlorophenyl)methyl]hydrazine
CID 105342098
[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-chloro-2-pyridinyl)methyl]hydrazine
CID 103445650
[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-chloro-5-methylphenyl)methyl]hydrazine
CID 105337269
[(2-bromo-4-fluorophenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methyl]hydrazine
CID 105342355
[[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
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-(2,4-dichlorophenyl)ethanamine
CID 114646758
[(2-bromo-3-fluorophenyl)-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]methyl]hydrazine
CID 105337306
[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-bromo-2-methylphenyl)methyl]hydrazine
CID 105337364

Frequently Asked Questions

What is the IUPAC name of [[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,4-dichlorophenyl)methyl]hydrazine?
The IUPAC name of [[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,4-dichlorophenyl)methyl]hydrazine (CID 105337278) is [[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,4-dichlorophenyl)methyl]hydrazine.
What is the SMILES notation for [[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,4-dichlorophenyl)methyl]hydrazine?
The canonical SMILES for [[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,4-dichlorophenyl)methyl]hydrazine is COCCn1ncc(Br)c1C(NN)c1ccc(Cl)cc1Cl.
What is the InChIKey of [[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,4-dichlorophenyl)methyl]hydrazine?
The InChIKey is CDPYNQIFPLVGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrCl2N4O/c1-21-5-4-20-13(10(14)7-18-20)12(19-17)9-3-2-8(15)6-11(9)16/h2-3,6-7,12,19H,4-5,17H2,1H3.
What are the key properties of [[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,4-dichlorophenyl)methyl]hydrazine?
[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,4-dichlorophenyl)methyl]hydrazine has a molecular weight of 394.10 g/mol, XLogP of 3.15, 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]-(2,4-dichlorophenyl)methyl]hydrazine is sourced from PubChem (CID 105337278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).