[1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine

C9H14ClF3N4O — CID 103217778

IUPAC[1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine
SMILESCCn1ncc(Cl)c1C(COCC(F)(F)F)NN
InChIInChI=1S/C9H14ClF3N4O/c1-2-17-8(6(10)3-15-17)7(16-14)4-18-5-9(11,12)13/h3,7,16H,2,4-5,14H2,1H3
InChIKeyCWVXLTNMKUEWKQ-UHFFFAOYSA-N
MW286.69 g/mol
LogP1.64
Rot. Bonds6

About [1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine

[1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine (PubChem CID 103217778) has the molecular formula C9H14ClF3N4O and a molecular weight of 286.69 g/mol. Its IUPAC name is [1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine
PubChem CID103217778
Molecular FormulaC9H14ClF3N4O
Molecular Weight286.69 g/mol
Exact Mass286.08
IUPAC Name[1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine
SMILESCCn1ncc(Cl)c1C(COCC(F)(F)F)NN
InChIInChI=1S/C9H14ClF3N4O/c1-2-17-8(6(10)3-15-17)7(16-14)4-18-5-9(11,12)13/h3,7,16H,2,4-5,14H2,1H3
InChIKeyCWVXLTNMKUEWKQ-UHFFFAOYSA-N
XLogP1.64
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.69
LogP ≤ 51.64
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-(4-bromo-1-ethylpyrazol-5-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]hydrazine
CID 103477762
[1-(4-chloro-1-propylpyrazol-5-yl)-4,4,4-trifluorobutyl]hydrazine
CID 105248932
2-[4-chloro-5-(2-ethoxy-1-hydrazinylethyl)pyrazol-1-yl]-N,N-dimethylethanamine
CID 105235309
N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103216379
[1-(4-chloro-1-ethylpyrazol-5-yl)-2-methylsulfonylethyl]hydrazine
CID 105336459
[1-(4-chloro-1-propylpyrazol-5-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl]hydrazine
CID 105337258
[1-(4-chloro-1-ethylpyrazol-5-yl)-2-(3,5-difluorophenyl)ethyl]hydrazine
CID 105206674
[1-(4-chloro-1-ethylpyrazol-5-yl)-2-cyclopentylethyl]hydrazine
CID 105336401
[1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-3,3,3-trifluoropropyl]hydrazine
CID 105205931
1-(4-chloro-1-propylpyrazol-5-yl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 103475278
2-[4-chloro-5-(1-hydrazinyl-2-propoxyethyl)pyrazol-1-yl]-N,N-dimethylethanamine
CID 105210023
[1-(4-chloro-1-ethylpyrazol-5-yl)-2-cyclohexylethyl]hydrazine
CID 105336353

Frequently Asked Questions

What is the IUPAC name of [1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine?
The IUPAC name of [1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine (CID 103217778) is [1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine.
What is the SMILES notation for [1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine?
The canonical SMILES for [1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine is CCn1ncc(Cl)c1C(COCC(F)(F)F)NN.
What is the InChIKey of [1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine?
The InChIKey is CWVXLTNMKUEWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClF3N4O/c1-2-17-8(6(10)3-15-17)7(16-14)4-18-5-9(11,12)13/h3,7,16H,2,4-5,14H2,1H3.
What are the key properties of [1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine?
[1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine has a molecular weight of 286.69 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine is sourced from PubChem (CID 103217778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).