[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-chloro-2-pyridinyl)methyl]hydrazine

C12H15BrClN5O — CID 103445650

IUPAC[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-chloro-2-pyridinyl)methyl]hydrazine
SMILESCOCCn1ncc(Br)c1C(NN)c1ncccc1Cl
InChIInChI=1S/C12H15BrClN5O/c1-20-6-5-19-12(8(13)7-17-19)11(18-15)10-9(14)3-2-4-16-10/h2-4,7,11,18H,5-6,15H2,1H3
InChIKeyGPOAJMPOVAVEFF-UHFFFAOYSA-N
MW360.64 g/mol
LogP1.89
Rot. Bonds6

About [[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-chloro-2-pyridinyl)methyl]hydrazine

[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-chloro-2-pyridinyl)methyl]hydrazine (PubChem CID 103445650) has the molecular formula C12H15BrClN5O and a molecular weight of 360.64 g/mol. Its IUPAC name is [[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-chloro-2-pyridinyl)methyl]hydrazine.

Molecular Properties

Compound Name[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-chloro-2-pyridinyl)methyl]hydrazine
PubChem CID103445650
Molecular FormulaC12H15BrClN5O
Molecular Weight360.64 g/mol
Exact Mass359.01
IUPAC Name[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-chloro-2-pyridinyl)methyl]hydrazine
SMILESCOCCn1ncc(Br)c1C(NN)c1ncccc1Cl
InChIInChI=1S/C12H15BrClN5O/c1-20-6-5-19-12(8(13)7-17-19)11(18-15)10-9(14)3-2-4-16-10/h2-4,7,11,18H,5-6,15H2,1H3
InChIKeyGPOAJMPOVAVEFF-UHFFFAOYSA-N
XLogP1.89
TPSA77.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.64
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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
[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,4-dichlorophenyl)methyl]hydrazine
CID 105337278
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(3-chloro-2-pyridinyl)-N-methylmethanamine
CID 103444104
[[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-methylphenyl)methyl]hydrazine
CID 105200540
[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(4-methoxyphenyl)methyl]hydrazine
CID 105190947
N-[(4-bromo-1-propylpyrazol-5-yl)-(3-chloro-2-pyridinyl)methyl]propan-1-amine
CID 103444915
[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-bromo-2-methylphenyl)methyl]hydrazine
CID 105337364
[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,3-dimethylphenyl)methyl]hydrazine
CID 105337265
[(2-bromo-3-fluorophenyl)-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]methyl]hydrazine
CID 105337306
[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(furan-3-yl)methyl]hydrazine
CID 105221413
[[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]-(3-chloro-2-pyridinyl)methyl]hydrazine?
The IUPAC name of [[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-chloro-2-pyridinyl)methyl]hydrazine (CID 103445650) is [[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-chloro-2-pyridinyl)methyl]hydrazine.
What is the SMILES notation for [[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-chloro-2-pyridinyl)methyl]hydrazine?
The canonical SMILES for [[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-chloro-2-pyridinyl)methyl]hydrazine is COCCn1ncc(Br)c1C(NN)c1ncccc1Cl.
What is the InChIKey of [[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-chloro-2-pyridinyl)methyl]hydrazine?
The InChIKey is GPOAJMPOVAVEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClN5O/c1-20-6-5-19-12(8(13)7-17-19)11(18-15)10-9(14)3-2-4-16-10/h2-4,7,11,18H,5-6,15H2,1H3.
What are the key properties of [[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-chloro-2-pyridinyl)methyl]hydrazine?
[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-chloro-2-pyridinyl)methyl]hydrazine has a molecular weight of 360.64 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-chloro-2-pyridinyl)methyl]hydrazine is sourced from PubChem (CID 103445650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).