[1-(4-bromo-1-ethylpyrazol-5-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]hydrazine

C10H15BrF4N4O — CID 103477762

IUPAC[1-(4-bromo-1-ethylpyrazol-5-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]hydrazine
SMILESCCn1ncc(Br)c1C(COCC(F)(F)C(F)F)NN
InChIInChI=1S/C10H15BrF4N4O/c1-2-19-8(6(11)3-17-19)7(18-16)4-20-5-10(14,15)9(12)13/h3,7,9,18H,2,4-5,16H2,1H3
InChIKeyXQLZCHPQIANALH-UHFFFAOYSA-N
MW363.15 g/mol
LogP2.09
Rot. Bonds8

About [1-(4-bromo-1-ethylpyrazol-5-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]hydrazine

[1-(4-bromo-1-ethylpyrazol-5-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]hydrazine (PubChem CID 103477762) has the molecular formula C10H15BrF4N4O and a molecular weight of 363.15 g/mol. Its IUPAC name is [1-(4-bromo-1-ethylpyrazol-5-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(4-bromo-1-ethylpyrazol-5-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]hydrazine
PubChem CID103477762
Molecular FormulaC10H15BrF4N4O
Molecular Weight363.15 g/mol
Exact Mass362.04
IUPAC Name[1-(4-bromo-1-ethylpyrazol-5-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]hydrazine
SMILESCCn1ncc(Br)c1C(COCC(F)(F)C(F)F)NN
InChIInChI=1S/C10H15BrF4N4O/c1-2-19-8(6(11)3-17-19)7(18-16)4-20-5-10(14,15)9(12)13/h3,7,9,18H,2,4-5,16H2,1H3
InChIKeyXQLZCHPQIANALH-UHFFFAOYSA-N
XLogP2.09
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.15
LogP ≤ 52.09
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'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromo-1-ethylpyrazol-5-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 103475129
[1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine
CID 103217778
[1-(4-bromo-1-ethylpyrazol-5-yl)-4-methoxybutyl]hydrazine
CID 105225084
[1-(2-methylpyrazol-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]hydrazine
CID 103477564
3-(4-bromo-1-ethylpyrazol-5-yl)-N,N-diethyl-3-hydrazinylpropan-1-amine
CID 105244143
1-(4-bromo-1-ethylpyrazol-5-yl)-N-ethyl-3,3,3-trifluoropropan-1-amine
CID 114648474
[1-(4-bromo-1-propylpyrazol-5-yl)-2-propan-2-yloxyethyl]hydrazine
CID 105336566
1-(4-bromo-1-ethylpyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148166
[1-(5-methyl-3-pyridinyl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]hydrazine
CID 103477544
[1-(4-bromo-1-ethylpyrazol-5-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine
CID 105336257
1-(4-chloro-1-propylpyrazol-5-yl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 103475278
[(4-bromo-1-ethylpyrazol-5-yl)-pyrimidin-5-ylmethyl]hydrazine
CID 102924309

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromo-1-ethylpyrazol-5-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]hydrazine?
The IUPAC name of [1-(4-bromo-1-ethylpyrazol-5-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]hydrazine (CID 103477762) is [1-(4-bromo-1-ethylpyrazol-5-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]hydrazine.
What is the SMILES notation for [1-(4-bromo-1-ethylpyrazol-5-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]hydrazine?
The canonical SMILES for [1-(4-bromo-1-ethylpyrazol-5-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]hydrazine is CCn1ncc(Br)c1C(COCC(F)(F)C(F)F)NN.
What is the InChIKey of [1-(4-bromo-1-ethylpyrazol-5-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]hydrazine?
The InChIKey is XQLZCHPQIANALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrF4N4O/c1-2-19-8(6(11)3-17-19)7(18-16)4-20-5-10(14,15)9(12)13/h3,7,9,18H,2,4-5,16H2,1H3.
What are the key properties of [1-(4-bromo-1-ethylpyrazol-5-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]hydrazine?
[1-(4-bromo-1-ethylpyrazol-5-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]hydrazine has a molecular weight of 363.15 g/mol, XLogP of 2.09, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromo-1-ethylpyrazol-5-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]hydrazine is sourced from PubChem (CID 103477762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).