[1-(5-chloro-1,3-dimethylpyrazol-4-yl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine

C11H18ClF3N4O — CID 103151456

IUPAC[1-(5-chloro-1,3-dimethylpyrazol-4-yl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine
SMILESCc1nn(C)c(Cl)c1CC(CCOCC(F)(F)F)NN
InChIInChI=1S/C11H18ClF3N4O/c1-7-9(10(12)19(2)18-7)5-8(17-16)3-4-20-6-11(13,14)15/h8,17H,3-6,16H2,1-2H3
InChIKeyQUKQIMIUOMFPAG-UHFFFAOYSA-N
MW314.74 g/mol
LogP1.73
Rot. Bonds7

About [1-(5-chloro-1,3-dimethylpyrazol-4-yl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine

[1-(5-chloro-1,3-dimethylpyrazol-4-yl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine (PubChem CID 103151456) has the molecular formula C11H18ClF3N4O and a molecular weight of 314.74 g/mol. Its IUPAC name is [1-(5-chloro-1,3-dimethylpyrazol-4-yl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(5-chloro-1,3-dimethylpyrazol-4-yl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine
PubChem CID103151456
Molecular FormulaC11H18ClF3N4O
Molecular Weight314.74 g/mol
Exact Mass314.11
IUPAC Name[1-(5-chloro-1,3-dimethylpyrazol-4-yl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine
SMILESCc1nn(C)c(Cl)c1CC(CCOCC(F)(F)F)NN
InChIInChI=1S/C11H18ClF3N4O/c1-7-9(10(12)19(2)18-7)5-8(17-16)3-4-20-6-11(13,14)15/h8,17H,3-6,16H2,1-2H3
InChIKeyQUKQIMIUOMFPAG-UHFFFAOYSA-N
XLogP1.73
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 ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [1-(5-chloro-1,3-dimethylpyrazol-4-yl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-yl]hydrazine
CID 103477685
[1-(5-chloro-1,3-dimethylpyrazol-4-yl)-5-methoxypentan-2-yl]hydrazine
CID 105225160
1-(5-chloro-1,3-dimethylpyrazol-4-yl)hexan-2-ylhydrazine
CID 105245830
[1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine
CID 103151695
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-5,5,5-trifluoro-N-methylpentan-2-amine
CID 113470313
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-4-(2-methoxyethoxy)-N-propylbutan-2-amine
CID 102928661
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-ethyl-4-(2,2,2-trifluoroethoxy)butan-2-amine
CID 103148510
[1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-cycloheptylpropan-2-yl]hydrazine
CID 105333976
[1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(2-chloro-6-fluorophenyl)propan-2-yl]hydrazine
CID 105216057
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine
CID 103147997
[1-(2-chloro-6-fluorophenyl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine
CID 103151588
[1-(1-methyltriazol-4-yl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine
CID 107066481

Frequently Asked Questions

What is the IUPAC name of [1-(5-chloro-1,3-dimethylpyrazol-4-yl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine?
The IUPAC name of [1-(5-chloro-1,3-dimethylpyrazol-4-yl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine (CID 103151456) is [1-(5-chloro-1,3-dimethylpyrazol-4-yl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine.
What is the SMILES notation for [1-(5-chloro-1,3-dimethylpyrazol-4-yl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine?
The canonical SMILES for [1-(5-chloro-1,3-dimethylpyrazol-4-yl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine is Cc1nn(C)c(Cl)c1CC(CCOCC(F)(F)F)NN.
What is the InChIKey of [1-(5-chloro-1,3-dimethylpyrazol-4-yl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine?
The InChIKey is QUKQIMIUOMFPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClF3N4O/c1-7-9(10(12)19(2)18-7)5-8(17-16)3-4-20-6-11(13,14)15/h8,17H,3-6,16H2,1-2H3.
What are the key properties of [1-(5-chloro-1,3-dimethylpyrazol-4-yl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine?
[1-(5-chloro-1,3-dimethylpyrazol-4-yl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine has a molecular weight of 314.74 g/mol, XLogP of 1.73, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-chloro-1,3-dimethylpyrazol-4-yl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine is sourced from PubChem (CID 103151456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).