[2-(3-chlorophenoxy)-1-(2-ethylpyrazol-3-yl)ethyl]hydrazine

C13H17ClN4O — CID 105307108

IUPAC[2-(3-chlorophenoxy)-1-(2-ethylpyrazol-3-yl)ethyl]hydrazine
SMILESCCn1nccc1C(COc1cccc(Cl)c1)NN
InChIInChI=1S/C13H17ClN4O/c1-2-18-13(6-7-16-18)12(17-15)9-19-11-5-3-4-10(14)8-11/h3-8,12,17H,2,9,15H2,1H3
InChIKeyDKDWBSWKUXAIAN-UHFFFAOYSA-N
MW280.76 g/mol
LogP2.14
Rot. Bonds6

About [2-(3-chlorophenoxy)-1-(2-ethylpyrazol-3-yl)ethyl]hydrazine

[2-(3-chlorophenoxy)-1-(2-ethylpyrazol-3-yl)ethyl]hydrazine (PubChem CID 105307108) has the molecular formula C13H17ClN4O and a molecular weight of 280.76 g/mol. Its IUPAC name is [2-(3-chlorophenoxy)-1-(2-ethylpyrazol-3-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(3-chlorophenoxy)-1-(2-ethylpyrazol-3-yl)ethyl]hydrazine
PubChem CID105307108
Molecular FormulaC13H17ClN4O
Molecular Weight280.76 g/mol
Exact Mass280.11
IUPAC Name[2-(3-chlorophenoxy)-1-(2-ethylpyrazol-3-yl)ethyl]hydrazine
SMILESCCn1nccc1C(COc1cccc(Cl)c1)NN
InChIInChI=1S/C13H17ClN4O/c1-2-18-13(6-7-16-18)12(17-15)9-19-11-5-3-4-10(14)8-11/h3-8,12,17H,2,9,15H2,1H3
InChIKeyDKDWBSWKUXAIAN-UHFFFAOYSA-N
XLogP2.14
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.76
LogP ≤ 52.14
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

[1-(2-ethylpyrazol-3-yl)-2-phenoxyethyl]hydrazine
CID 105213049
2-(3-chlorophenoxy)-1-(2-ethylpyrazol-3-yl)ethanol
CID 105098116
[2-ethoxy-1-(2-ethylpyrazol-3-yl)ethyl]hydrazine
CID 105235336
1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3-chlorophenoxy)-N-methylethanamine
CID 105182828
[2-(3-chlorophenoxy)-1-pyrimidin-5-ylethyl]hydrazine
CID 105292048
[2-(3-chlorophenoxy)-1-(2-propylpyrazol-3-yl)propyl]hydrazine
CID 105306951
(3-ethoxyphenyl)-(2-ethylpyrazol-3-yl)methanamine
CID 63975299
[1-(5-chloro-2-methoxyphenyl)-2-(3-chlorophenoxy)ethyl]hydrazine
CID 105300805
[(5-chloro-2-methylphenyl)-(2-ethylpyrazol-3-yl)methyl]hydrazine
CID 105307338
2-(3-chlorophenyl)-1-(2-ethylpyrazol-3-yl)ethanamine
CID 63976359
2-(3-chlorophenoxy)-N-methyl-1-(1-methylimidazol-2-yl)ethanamine
CID 105149496
[1-(2-ethylpyrazol-3-yl)-2-naphthalen-2-ylethyl]hydrazine
CID 105307222

Frequently Asked Questions

What is the IUPAC name of [2-(3-chlorophenoxy)-1-(2-ethylpyrazol-3-yl)ethyl]hydrazine?
The IUPAC name of [2-(3-chlorophenoxy)-1-(2-ethylpyrazol-3-yl)ethyl]hydrazine (CID 105307108) is [2-(3-chlorophenoxy)-1-(2-ethylpyrazol-3-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(3-chlorophenoxy)-1-(2-ethylpyrazol-3-yl)ethyl]hydrazine?
The canonical SMILES for [2-(3-chlorophenoxy)-1-(2-ethylpyrazol-3-yl)ethyl]hydrazine is CCn1nccc1C(COc1cccc(Cl)c1)NN.
What is the InChIKey of [2-(3-chlorophenoxy)-1-(2-ethylpyrazol-3-yl)ethyl]hydrazine?
The InChIKey is DKDWBSWKUXAIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4O/c1-2-18-13(6-7-16-18)12(17-15)9-19-11-5-3-4-10(14)8-11/h3-8,12,17H,2,9,15H2,1H3.
What are the key properties of [2-(3-chlorophenoxy)-1-(2-ethylpyrazol-3-yl)ethyl]hydrazine?
[2-(3-chlorophenoxy)-1-(2-ethylpyrazol-3-yl)ethyl]hydrazine has a molecular weight of 280.76 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chlorophenoxy)-1-(2-ethylpyrazol-3-yl)ethyl]hydrazine is sourced from PubChem (CID 105307108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).