2-[4-chloro-5-(2-ethoxy-1-hydrazinylethyl)pyrazol-1-yl]-N,N-dimethylethanamine

C11H22ClN5O — CID 105235309

IUPAC2-[4-chloro-5-(2-ethoxy-1-hydrazinylethyl)pyrazol-1-yl]-N,N-dimethylethanamine
SMILESCCOCC(NN)c1c(Cl)cnn1CCN(C)C
InChIInChI=1S/C11H22ClN5O/c1-4-18-8-10(15-13)11-9(12)7-14-17(11)6-5-16(2)3/h7,10,15H,4-6,8,13H2,1-3H3
InChIKeyDCFQJFKLDUENRU-UHFFFAOYSA-N
MW275.78 g/mol
LogP0.64
Rot. Bonds8

About 2-[4-chloro-5-(2-ethoxy-1-hydrazinylethyl)pyrazol-1-yl]-N,N-dimethylethanamine

2-[4-chloro-5-(2-ethoxy-1-hydrazinylethyl)pyrazol-1-yl]-N,N-dimethylethanamine (PubChem CID 105235309) has the molecular formula C11H22ClN5O and a molecular weight of 275.78 g/mol. Its IUPAC name is 2-[4-chloro-5-(2-ethoxy-1-hydrazinylethyl)pyrazol-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-chloro-5-(2-ethoxy-1-hydrazinylethyl)pyrazol-1-yl]-N,N-dimethylethanamine
PubChem CID105235309
Molecular FormulaC11H22ClN5O
Molecular Weight275.78 g/mol
Exact Mass275.15
IUPAC Name2-[4-chloro-5-(2-ethoxy-1-hydrazinylethyl)pyrazol-1-yl]-N,N-dimethylethanamine
SMILESCCOCC(NN)c1c(Cl)cnn1CCN(C)C
InChIInChI=1S/C11H22ClN5O/c1-4-18-8-10(15-13)11-9(12)7-14-17(11)6-5-16(2)3/h7,10,15H,4-6,8,13H2,1-3H3
InChIKeyDCFQJFKLDUENRU-UHFFFAOYSA-N
XLogP0.64
TPSA68.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-5-(1-hydrazinyl-2-propoxyethyl)pyrazol-1-yl]-N,N-dimethylethanamine
CID 105210023
2-[5-(2-butan-2-ylsulfanyl-1-hydrazinylethyl)-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
CID 105227166
2-[4-chloro-5-[(4-chlorophenyl)-hydrazinylmethyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 105193337
[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-(2,2,2-trifluoroethoxy)ethyl]hydrazine
CID 103217778
2-[4-chloro-5-[(2-chlorophenyl)-hydrazinylmethyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 105211079
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2,2-difluoroethanamine
CID 103517108
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2,3-dimethylbutan-1-amine
CID 105039130
2-[4-chloro-5-[hydrazinyl-(5-methylpyrimidin-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 105261547
2-[4-chloro-5-[1-hydrazinyl-3-(oxolan-2-yl)propyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 105335717
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-3,3-dimethylbutan-1-ol
CID 114635725
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-cyclohexyl-N-methylethanamine
CID 105038978

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-5-(2-ethoxy-1-hydrazinylethyl)pyrazol-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-chloro-5-(2-ethoxy-1-hydrazinylethyl)pyrazol-1-yl]-N,N-dimethylethanamine (CID 105235309) is 2-[4-chloro-5-(2-ethoxy-1-hydrazinylethyl)pyrazol-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-chloro-5-(2-ethoxy-1-hydrazinylethyl)pyrazol-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-chloro-5-(2-ethoxy-1-hydrazinylethyl)pyrazol-1-yl]-N,N-dimethylethanamine is CCOCC(NN)c1c(Cl)cnn1CCN(C)C.
What is the InChIKey of 2-[4-chloro-5-(2-ethoxy-1-hydrazinylethyl)pyrazol-1-yl]-N,N-dimethylethanamine?
The InChIKey is DCFQJFKLDUENRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClN5O/c1-4-18-8-10(15-13)11-9(12)7-14-17(11)6-5-16(2)3/h7,10,15H,4-6,8,13H2,1-3H3.
What are the key properties of 2-[4-chloro-5-(2-ethoxy-1-hydrazinylethyl)pyrazol-1-yl]-N,N-dimethylethanamine?
2-[4-chloro-5-(2-ethoxy-1-hydrazinylethyl)pyrazol-1-yl]-N,N-dimethylethanamine has a molecular weight of 275.78 g/mol, XLogP of 0.64, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-5-(2-ethoxy-1-hydrazinylethyl)pyrazol-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 105235309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).