2-[[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-hydrazinylmethyl]aniline

C14H21BrN6 — CID 105223775

IUPAC2-[[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-hydrazinylmethyl]aniline
SMILESCN(C)CCn1ncc(Br)c1C(NN)c1ccccc1N
InChIInChI=1S/C14H21BrN6/c1-20(2)7-8-21-14(11(15)9-18-21)13(19-17)10-5-3-4-6-12(10)16/h3-6,9,13,19H,7-8,16-17H2,1-2H3
InChIKeyUMHLYJNQWYJGQX-UHFFFAOYSA-N
MW353.27 g/mol
LogP1.34
Rot. Bonds6

About 2-[[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-hydrazinylmethyl]aniline

2-[[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-hydrazinylmethyl]aniline (PubChem CID 105223775) has the molecular formula C14H21BrN6 and a molecular weight of 353.27 g/mol. Its IUPAC name is 2-[[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-hydrazinylmethyl]aniline.

Molecular Properties

Compound Name2-[[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-hydrazinylmethyl]aniline
PubChem CID105223775
Molecular FormulaC14H21BrN6
Molecular Weight353.27 g/mol
Exact Mass352.10
IUPAC Name2-[[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-hydrazinylmethyl]aniline
SMILESCN(C)CCn1ncc(Br)c1C(NN)c1ccccc1N
InChIInChI=1S/C14H21BrN6/c1-20(2)7-8-21-14(11(15)9-18-21)13(19-17)10-5-3-4-6-12(10)16/h3-6,9,13,19H,7-8,16-17H2,1-2H3
InChIKeyUMHLYJNQWYJGQX-UHFFFAOYSA-N
XLogP1.34
TPSA85.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.27
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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-bromo-5-[(2-bromophenyl)-hydrazinylmethyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 105208582
2-[(4-bromo-1-ethylpyrazol-5-yl)-hydrazinylmethyl]aniline
CID 105223904
2-[4-bromo-5-[hydrazinyl-(1-methylpyrazol-3-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 105228636
2-[4-chloro-5-[(2-chlorophenyl)-hydrazinylmethyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 105211079
2-[4-bromo-5-[hydrazinyl(thiadiazol-5-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 105336482
[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2-bromophenyl)methanol
CID 114634904
2-[5-[amino-(2-chlorophenyl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine
CID 114649288
2-[4-bromo-5-[hydrazinyl-(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 105336514
2-[4-bromo-5-[3-(furan-2-yl)-1-hydrazinylpropyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 105336492
[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-methylphenyl)methyl]hydrazine
CID 105200540
[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2-iodophenyl)methanol
CID 115834987
2-[5-[amino-(3-bromo-2-fluorophenyl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine
CID 107953684

Frequently Asked Questions

What is the IUPAC name of 2-[[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-hydrazinylmethyl]aniline?
The IUPAC name of 2-[[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-hydrazinylmethyl]aniline (CID 105223775) is 2-[[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-hydrazinylmethyl]aniline.
What is the SMILES notation for 2-[[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-hydrazinylmethyl]aniline?
The canonical SMILES for 2-[[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-hydrazinylmethyl]aniline is CN(C)CCn1ncc(Br)c1C(NN)c1ccccc1N.
What is the InChIKey of 2-[[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-hydrazinylmethyl]aniline?
The InChIKey is UMHLYJNQWYJGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN6/c1-20(2)7-8-21-14(11(15)9-18-21)13(19-17)10-5-3-4-6-12(10)16/h3-6,9,13,19H,7-8,16-17H2,1-2H3.
What are the key properties of 2-[[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-hydrazinylmethyl]aniline?
2-[[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-hydrazinylmethyl]aniline has a molecular weight of 353.27 g/mol, XLogP of 1.34, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-hydrazinylmethyl]aniline is sourced from PubChem (CID 105223775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).