[1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine

C11H18ClF3N4O — CID 103217584

IUPAC[1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine
SMILESCCc1nn(C)c(CC(COCC(F)(F)F)NN)c1Cl
InChIInChI=1S/C11H18ClF3N4O/c1-3-8-10(12)9(19(2)18-8)4-7(17-16)5-20-6-11(13,14)15/h7,17H,3-6,16H2,1-2H3
InChIKeyBZSNSDYDIKRTIM-UHFFFAOYSA-N
MW314.74 g/mol
LogP1.59
Rot. Bonds7

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

[1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine (PubChem CID 103217584) has the molecular formula C11H18ClF3N4O and a molecular weight of 314.74 g/mol. Its IUPAC name is [1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine
PubChem CID103217584
Molecular FormulaC11H18ClF3N4O
Molecular Weight314.74 g/mol
Exact Mass314.11
IUPAC Name[1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine
SMILESCCc1nn(C)c(CC(COCC(F)(F)F)NN)c1Cl
InChIInChI=1S/C11H18ClF3N4O/c1-3-8-10(12)9(19(2)18-8)4-7(17-16)5-20-6-11(13,14)15/h7,17H,3-6,16H2,1-2H3
InChIKeyBZSNSDYDIKRTIM-UHFFFAOYSA-N
XLogP1.59
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.74
LogP ≤ 51.59
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-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103215619
1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-5,5,5-trifluoro-N-methylpentan-2-amine
CID 79952752
1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-5,5,5-trifluoro-N-propylpentan-2-amine
CID 79959281
1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-3-[(2-methylpropan-2-yl)oxy]propan-2-amine
CID 105159793
1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)propan-2-ol
CID 103216923
1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-methyl-4-propoxybutan-2-amine
CID 105159803
[1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-ethoxyhexan-2-yl]hydrazine
CID 105271455
[1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-yl]hydrazine
CID 103477685
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-ethyl-4-(2,2,2-trifluoroethoxy)butan-2-amine
CID 103148510
[1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine
CID 103151695
1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-4-propoxy-N-propylbutan-2-amine
CID 105159851
[2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2,6-difluorophenyl)ethyl]hydrazine
CID 105246689

Frequently Asked Questions

What is the IUPAC name of [1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine?
The IUPAC name of [1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine (CID 103217584) is [1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine.
What is the SMILES notation for [1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine?
The canonical SMILES for [1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine is CCc1nn(C)c(CC(COCC(F)(F)F)NN)c1Cl.
What is the InChIKey of [1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine?
The InChIKey is BZSNSDYDIKRTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClF3N4O/c1-3-8-10(12)9(19(2)18-8)4-7(17-16)5-20-6-11(13,14)15/h7,17H,3-6,16H2,1-2H3.
What are the key properties of [1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine?
[1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine has a molecular weight of 314.74 g/mol, XLogP of 1.59, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine is sourced from PubChem (CID 103217584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).