2-[4-bromo-5-[3-(furan-2-yl)-1-hydrazinylpropyl]pyrazol-1-yl]-N,N-dimethylethanamine

C14H22BrN5O — CID 105336492

IUPAC2-[4-bromo-5-[3-(furan-2-yl)-1-hydrazinylpropyl]pyrazol-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCn1ncc(Br)c1C(CCc1ccco1)NN
InChIInChI=1S/C14H22BrN5O/c1-19(2)7-8-20-14(12(15)10-17-20)13(18-16)6-5-11-4-3-9-21-11/h3-4,9-10,13,18H,5-8,16H2,1-2H3
InChIKeyIZCHVKOGRKNCDE-UHFFFAOYSA-N
MW356.27 g/mol
LogP1.94
Rot. Bonds8

About 2-[4-bromo-5-[3-(furan-2-yl)-1-hydrazinylpropyl]pyrazol-1-yl]-N,N-dimethylethanamine

2-[4-bromo-5-[3-(furan-2-yl)-1-hydrazinylpropyl]pyrazol-1-yl]-N,N-dimethylethanamine (PubChem CID 105336492) has the molecular formula C14H22BrN5O and a molecular weight of 356.27 g/mol. Its IUPAC name is 2-[4-bromo-5-[3-(furan-2-yl)-1-hydrazinylpropyl]pyrazol-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-bromo-5-[3-(furan-2-yl)-1-hydrazinylpropyl]pyrazol-1-yl]-N,N-dimethylethanamine
PubChem CID105336492
Molecular FormulaC14H22BrN5O
Molecular Weight356.27 g/mol
Exact Mass355.10
IUPAC Name2-[4-bromo-5-[3-(furan-2-yl)-1-hydrazinylpropyl]pyrazol-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCn1ncc(Br)c1C(CCc1ccco1)NN
InChIInChI=1S/C14H22BrN5O/c1-19(2)7-8-20-14(12(15)10-17-20)13(18-16)6-5-11-4-3-9-21-11/h3-4,9-10,13,18H,5-8,16H2,1-2H3
InChIKeyIZCHVKOGRKNCDE-UHFFFAOYSA-N
XLogP1.94
TPSA72.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.27
LogP ≤ 51.94
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'}

Analyze 2-[4-bromo-5-[3-(furan-2-yl)-1-hydrazinylpropyl]pyrazol-1-yl]-N,N-dimethylethanamine 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-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-3-(furan-2-yl)propan-1-amine
CID 105182777
2-[[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-hydrazinylmethyl]aniline
CID 105223775
2-[4-bromo-5-(2-tert-butylsulfanyl-1-hydrazinylethyl)pyrazol-1-yl]-N,N-dimethylethanamine
CID 105226390
2-[4-bromo-5-[(2-bromophenyl)-hydrazinylmethyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 105208582
[3-(furan-2-yl)-1-(2-methylpyrazol-3-yl)propyl]hydrazine
CID 105307383
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-3-phenylpropan-1-amine
CID 114648417
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-ethyl-3-(furan-2-yl)propan-1-amine
CID 105183823
2-[4-bromo-5-(1-hydrazinyl-2-methoxypropyl)pyrazol-1-yl]-N,N-dimethylethanamine
CID 105246875
[1-(2-ethylpyrazol-3-yl)-3-(furan-2-yl)propyl]hydrazine
CID 105307153
2-[4-bromo-5-[hydrazinyl-(1-methylpyrazol-3-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 105228636
[3-(furan-2-yl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)propyl]hydrazine
CID 105339521
[1-(4-bromo-1-propylpyrazol-5-yl)-3-pyridin-3-ylpropyl]hydrazine
CID 105336676

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-5-[3-(furan-2-yl)-1-hydrazinylpropyl]pyrazol-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-bromo-5-[3-(furan-2-yl)-1-hydrazinylpropyl]pyrazol-1-yl]-N,N-dimethylethanamine (CID 105336492) is 2-[4-bromo-5-[3-(furan-2-yl)-1-hydrazinylpropyl]pyrazol-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-bromo-5-[3-(furan-2-yl)-1-hydrazinylpropyl]pyrazol-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-bromo-5-[3-(furan-2-yl)-1-hydrazinylpropyl]pyrazol-1-yl]-N,N-dimethylethanamine is CN(C)CCn1ncc(Br)c1C(CCc1ccco1)NN.
What is the InChIKey of 2-[4-bromo-5-[3-(furan-2-yl)-1-hydrazinylpropyl]pyrazol-1-yl]-N,N-dimethylethanamine?
The InChIKey is IZCHVKOGRKNCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN5O/c1-19(2)7-8-20-14(12(15)10-17-20)13(18-16)6-5-11-4-3-9-21-11/h3-4,9-10,13,18H,5-8,16H2,1-2H3.
What are the key properties of 2-[4-bromo-5-[3-(furan-2-yl)-1-hydrazinylpropyl]pyrazol-1-yl]-N,N-dimethylethanamine?
2-[4-bromo-5-[3-(furan-2-yl)-1-hydrazinylpropyl]pyrazol-1-yl]-N,N-dimethylethanamine has a molecular weight of 356.27 g/mol, XLogP of 1.94, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-5-[3-(furan-2-yl)-1-hydrazinylpropyl]pyrazol-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 105336492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).