2-[4-chloro-5-(1-hydrazinyl-2-propoxyethyl)pyrazol-1-yl]-N,N-dimethylethanamine

C12H24ClN5O — CID 105210023

IUPAC2-[4-chloro-5-(1-hydrazinyl-2-propoxyethyl)pyrazol-1-yl]-N,N-dimethylethanamine
SMILESCCCOCC(NN)c1c(Cl)cnn1CCN(C)C
InChIInChI=1S/C12H24ClN5O/c1-4-7-19-9-11(16-14)12-10(13)8-15-18(12)6-5-17(2)3/h8,11,16H,4-7,9,14H2,1-3H3
InChIKeySWKPXZVWTVALIZ-UHFFFAOYSA-N
MW289.81 g/mol
LogP1.03
Rot. Bonds9

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

2-[4-chloro-5-(1-hydrazinyl-2-propoxyethyl)pyrazol-1-yl]-N,N-dimethylethanamine (PubChem CID 105210023) has the molecular formula C12H24ClN5O and a molecular weight of 289.81 g/mol. Its IUPAC name is 2-[4-chloro-5-(1-hydrazinyl-2-propoxyethyl)pyrazol-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-chloro-5-(1-hydrazinyl-2-propoxyethyl)pyrazol-1-yl]-N,N-dimethylethanamine
PubChem CID105210023
Molecular FormulaC12H24ClN5O
Molecular Weight289.81 g/mol
Exact Mass289.17
IUPAC Name2-[4-chloro-5-(1-hydrazinyl-2-propoxyethyl)pyrazol-1-yl]-N,N-dimethylethanamine
SMILESCCCOCC(NN)c1c(Cl)cnn1CCN(C)C
InChIInChI=1S/C12H24ClN5O/c1-4-7-19-9-11(16-14)12-10(13)8-15-18(12)6-5-17(2)3/h8,11,16H,4-7,9,14H2,1-3H3
InChIKeySWKPXZVWTVALIZ-UHFFFAOYSA-N
XLogP1.03
TPSA68.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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'}

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Related Compounds

2-[4-chloro-5-(2-ethoxy-1-hydrazinylethyl)pyrazol-1-yl]-N,N-dimethylethanamine
CID 105235309
2-[5-(2-butan-2-ylsulfanyl-1-hydrazinylethyl)-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
CID 105227166
[1-(4-chloro-1-propylpyrazol-5-yl)-2-[(2-methylpropan-2-yl)oxy]ethyl]hydrazine
CID 105337258
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]butylhydrazine
CID 105202075
2-[4-chloro-5-[(4-chlorophenyl)-hydrazinylmethyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 105193337
[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
N-[1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-ethylsulfanylethyl]propan-1-amine
CID 114653523
2-[4-chloro-5-[hydrazinyl(1H-1,2,4-triazol-5-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 105230485
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]hexan-1-amine
CID 105039116
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

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-5-(1-hydrazinyl-2-propoxyethyl)pyrazol-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-chloro-5-(1-hydrazinyl-2-propoxyethyl)pyrazol-1-yl]-N,N-dimethylethanamine (CID 105210023) is 2-[4-chloro-5-(1-hydrazinyl-2-propoxyethyl)pyrazol-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-chloro-5-(1-hydrazinyl-2-propoxyethyl)pyrazol-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-chloro-5-(1-hydrazinyl-2-propoxyethyl)pyrazol-1-yl]-N,N-dimethylethanamine is CCCOCC(NN)c1c(Cl)cnn1CCN(C)C.
What is the InChIKey of 2-[4-chloro-5-(1-hydrazinyl-2-propoxyethyl)pyrazol-1-yl]-N,N-dimethylethanamine?
The InChIKey is SWKPXZVWTVALIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24ClN5O/c1-4-7-19-9-11(16-14)12-10(13)8-15-18(12)6-5-17(2)3/h8,11,16H,4-7,9,14H2,1-3H3.
What are the key properties of 2-[4-chloro-5-(1-hydrazinyl-2-propoxyethyl)pyrazol-1-yl]-N,N-dimethylethanamine?
2-[4-chloro-5-(1-hydrazinyl-2-propoxyethyl)pyrazol-1-yl]-N,N-dimethylethanamine has a molecular weight of 289.81 g/mol, XLogP of 1.03, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-5-(1-hydrazinyl-2-propoxyethyl)pyrazol-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 105210023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).