[2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(5-methyloxolan-2-yl)ethyl]hydrazine

C13H23ClN4O — CID 105317017

IUPAC[2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(5-methyloxolan-2-yl)ethyl]hydrazine
SMILESCCn1nc(C)c(Cl)c1CC(NN)C1CCC(C)O1
InChIInChI=1S/C13H23ClN4O/c1-4-18-11(13(14)9(3)17-18)7-10(16-15)12-6-5-8(2)19-12/h8,10,12,16H,4-7,15H2,1-3H3
InChIKeyJIUATCWYFOBBNL-UHFFFAOYSA-N
MW286.81 g/mol
LogP1.81
Rot. Bonds5

About [2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(5-methyloxolan-2-yl)ethyl]hydrazine

[2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(5-methyloxolan-2-yl)ethyl]hydrazine (PubChem CID 105317017) has the molecular formula C13H23ClN4O and a molecular weight of 286.81 g/mol. Its IUPAC name is [2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(5-methyloxolan-2-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(5-methyloxolan-2-yl)ethyl]hydrazine
PubChem CID105317017
Molecular FormulaC13H23ClN4O
Molecular Weight286.81 g/mol
Exact Mass286.16
IUPAC Name[2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(5-methyloxolan-2-yl)ethyl]hydrazine
SMILESCCn1nc(C)c(Cl)c1CC(NN)C1CCC(C)O1
InChIInChI=1S/C13H23ClN4O/c1-4-18-11(13(14)9(3)17-18)7-10(16-15)12-6-5-8(2)19-12/h8,10,12,16H,4-7,15H2,1-3H3
InChIKeyJIUATCWYFOBBNL-UHFFFAOYSA-N
XLogP1.81
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.81
LogP ≤ 51.81
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

2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-N-methyl-1-(5-methyloxolan-2-yl)ethanamine
CID 104998654
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-N-methyl-1-(5-methyloxolan-3-yl)ethanamine
CID 104998923
[1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-(oxolan-3-yl)propan-2-yl]hydrazine
CID 105265950
[3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1,1-difluoropropan-2-yl]hydrazine
CID 105264979
[1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-methylsulfanylpropan-2-yl]hydrazine
CID 105213762
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
CID 104998803
[1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-propoxypropan-2-yl]hydrazine
CID 105209898
N-[1-(6-bicyclo[3.1.0]hexanyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)ethyl]propan-1-amine
CID 104998697
[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-cyclopropylethyl]hydrazine
CID 105202592
[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(4-ethylmorpholin-2-yl)ethyl]hydrazine
CID 105247717
1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-4-cyclohexylbutan-2-ol
CID 115813336
[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3-methyloxolan-2-yl)ethyl]hydrazine
CID 105316051

Frequently Asked Questions

What is the IUPAC name of [2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(5-methyloxolan-2-yl)ethyl]hydrazine?
The IUPAC name of [2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(5-methyloxolan-2-yl)ethyl]hydrazine (CID 105317017) is [2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(5-methyloxolan-2-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(5-methyloxolan-2-yl)ethyl]hydrazine?
The canonical SMILES for [2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(5-methyloxolan-2-yl)ethyl]hydrazine is CCn1nc(C)c(Cl)c1CC(NN)C1CCC(C)O1.
What is the InChIKey of [2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(5-methyloxolan-2-yl)ethyl]hydrazine?
The InChIKey is JIUATCWYFOBBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23ClN4O/c1-4-18-11(13(14)9(3)17-18)7-10(16-15)12-6-5-8(2)19-12/h8,10,12,16H,4-7,15H2,1-3H3.
What are the key properties of [2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(5-methyloxolan-2-yl)ethyl]hydrazine?
[2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(5-methyloxolan-2-yl)ethyl]hydrazine has a molecular weight of 286.81 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(5-methyloxolan-2-yl)ethyl]hydrazine is sourced from PubChem (CID 105317017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).