[1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(oxolan-3-yl)ethyl]hydrazine

C12H21ClN4O2 — CID 105266007

IUPAC[1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(oxolan-3-yl)ethyl]hydrazine
SMILESCOCCn1ncc(Cl)c1C(CC1CCOC1)NN
InChIInChI=1S/C12H21ClN4O2/c1-18-5-3-17-12(10(13)7-15-17)11(16-14)6-9-2-4-19-8-9/h7,9,11,16H,2-6,8,14H2,1H3
InChIKeyZCLJGZNTUWBORI-UHFFFAOYSA-N
MW288.78 g/mol
LogP1.11
Rot. Bonds7

About [1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(oxolan-3-yl)ethyl]hydrazine

[1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(oxolan-3-yl)ethyl]hydrazine (PubChem CID 105266007) has the molecular formula C12H21ClN4O2 and a molecular weight of 288.78 g/mol. Its IUPAC name is [1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(oxolan-3-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(oxolan-3-yl)ethyl]hydrazine
PubChem CID105266007
Molecular FormulaC12H21ClN4O2
Molecular Weight288.78 g/mol
Exact Mass288.14
IUPAC Name[1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(oxolan-3-yl)ethyl]hydrazine
SMILESCOCCn1ncc(Cl)c1C(CC1CCOC1)NN
InChIInChI=1S/C12H21ClN4O2/c1-18-5-3-17-12(10(13)7-15-17)11(16-14)6-9-2-4-19-8-9/h7,9,11,16H,2-6,8,14H2,1H3
InChIKeyZCLJGZNTUWBORI-UHFFFAOYSA-N
XLogP1.11
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 51.11
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

1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]butylhydrazine
CID 105202075
[1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-cyclopropylethyl]hydrazine
CID 105254185
[1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-3,3,3-trifluoropropyl]hydrazine
CID 105205931
[1-(4-bromo-1-ethylpyrazol-5-yl)-2-(oxolan-3-yl)ethyl]hydrazine
CID 105266145
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-cyclopropylethanol
CID 114644981
[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-cyclopentylmethyl]hydrazine
CID 105204303
[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(oxan-2-yl)methyl]hydrazine
CID 105342345
[1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(4-chlorophenyl)ethyl]hydrazine
CID 105197611
[1-(4-chloro-1-ethylpyrazol-5-yl)-2-cyclopentylethyl]hydrazine
CID 105336401
[1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(2-chlorophenyl)ethyl]hydrazine
CID 105209479
[1-(4-chloro-1-ethylpyrazol-5-yl)-2-cyclohexylethyl]hydrazine
CID 105336353
N-[1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-(oxolan-3-yl)ethyl]propan-1-amine
CID 114660266

Frequently Asked Questions

What is the IUPAC name of [1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(oxolan-3-yl)ethyl]hydrazine?
The IUPAC name of [1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(oxolan-3-yl)ethyl]hydrazine (CID 105266007) is [1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(oxolan-3-yl)ethyl]hydrazine.
What is the SMILES notation for [1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(oxolan-3-yl)ethyl]hydrazine?
The canonical SMILES for [1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(oxolan-3-yl)ethyl]hydrazine is COCCn1ncc(Cl)c1C(CC1CCOC1)NN.
What is the InChIKey of [1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(oxolan-3-yl)ethyl]hydrazine?
The InChIKey is ZCLJGZNTUWBORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClN4O2/c1-18-5-3-17-12(10(13)7-15-17)11(16-14)6-9-2-4-19-8-9/h7,9,11,16H,2-6,8,14H2,1H3.
What are the key properties of [1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(oxolan-3-yl)ethyl]hydrazine?
[1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(oxolan-3-yl)ethyl]hydrazine has a molecular weight of 288.78 g/mol, XLogP of 1.11, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(oxolan-3-yl)ethyl]hydrazine is sourced from PubChem (CID 105266007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).