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

C12H21ClN4O2 — CID 105342345

IUPAC[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(oxan-2-yl)methyl]hydrazine
SMILESCOCCn1ncc(Cl)c1C(NN)C1CCCCO1
InChIInChI=1S/C12H21ClN4O2/c1-18-7-5-17-12(9(13)8-15-17)11(16-14)10-4-2-3-6-19-10/h8,10-11,16H,2-7,14H2,1H3
InChIKeyDALULYHTPUHJIO-UHFFFAOYSA-N
MW288.78 g/mol
LogP1.26
Rot. Bonds6

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

[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(oxan-2-yl)methyl]hydrazine (PubChem CID 105342345) has the molecular formula C12H21ClN4O2 and a molecular weight of 288.78 g/mol. Its IUPAC name is [[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(oxan-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(oxan-2-yl)methyl]hydrazine
PubChem CID105342345
Molecular FormulaC12H21ClN4O2
Molecular Weight288.78 g/mol
Exact Mass288.14
IUPAC Name[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(oxan-2-yl)methyl]hydrazine
SMILESCOCCn1ncc(Cl)c1C(NN)C1CCCCO1
InChIInChI=1S/C12H21ClN4O2/c1-18-7-5-17-12(9(13)8-15-17)11(16-14)10-4-2-3-6-19-10/h8,10-11,16H,2-7,14H2,1H3
InChIKeyDALULYHTPUHJIO-UHFFFAOYSA-N
XLogP1.26
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 51.26
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-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-cyclopentylmethyl]hydrazine
CID 105204303
[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(oxolan-2-yl)methyl]hydrazine
CID 105229175
1-(4-chloro-1-ethylpyrazol-5-yl)-N-methyl-1-(oxan-2-yl)methanamine
CID 105040813
2-[5-[hydrazinyl(oxan-2-yl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
CID 105336037
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(oxan-2-yl)ethanol
CID 114645474
[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1,4-diazabicyclo[2.2.2]octan-2-yl)methyl]hydrazine
CID 105249908
1-(4-chloro-1-ethylpyrazol-5-yl)-N-methyl-1-(oxolan-2-yl)methanamine
CID 114654609
[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(1,4-dioxan-2-yl)methyl]hydrazine
CID 105337280
1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-1-(oxan-2-yl)methanamine
CID 105046718
[(4-chloro-1-propylpyrazol-5-yl)-(4-methylmorpholin-2-yl)methyl]hydrazine
CID 105244342
[1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(oxolan-3-yl)ethyl]hydrazine
CID 105266007
[1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2,2-difluoroethyl]hydrazine
CID 105265036

Frequently Asked Questions

What is the IUPAC name of [[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(oxan-2-yl)methyl]hydrazine?
The IUPAC name of [[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(oxan-2-yl)methyl]hydrazine (CID 105342345) is [[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(oxan-2-yl)methyl]hydrazine.
What is the SMILES notation for [[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(oxan-2-yl)methyl]hydrazine?
The canonical SMILES for [[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(oxan-2-yl)methyl]hydrazine is COCCn1ncc(Cl)c1C(NN)C1CCCCO1.
What is the InChIKey of [[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(oxan-2-yl)methyl]hydrazine?
The InChIKey is DALULYHTPUHJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClN4O2/c1-18-7-5-17-12(9(13)8-15-17)11(16-14)10-4-2-3-6-19-10/h8,10-11,16H,2-7,14H2,1H3.
What are the key properties of [[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(oxan-2-yl)methyl]hydrazine?
[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(oxan-2-yl)methyl]hydrazine has a molecular weight of 288.78 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(oxan-2-yl)methyl]hydrazine is sourced from PubChem (CID 105342345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).