2-[4-bromo-5-[(2-bromophenyl)-hydrazinylmethyl]pyrazol-1-yl]-N,N-dimethylethanamine

C14H19Br2N5 — CID 105208582

IUPAC2-[4-bromo-5-[(2-bromophenyl)-hydrazinylmethyl]pyrazol-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCn1ncc(Br)c1C(NN)c1ccccc1Br
InChIInChI=1S/C14H19Br2N5/c1-20(2)7-8-21-14(12(16)9-18-21)13(19-17)10-5-3-4-6-11(10)15/h3-6,9,13,19H,7-8,17H2,1-2H3
InChIKeyOUHZWRCWZONJFO-UHFFFAOYSA-N
MW417.15 g/mol
LogP2.52
Rot. Bonds6

About 2-[4-bromo-5-[(2-bromophenyl)-hydrazinylmethyl]pyrazol-1-yl]-N,N-dimethylethanamine

2-[4-bromo-5-[(2-bromophenyl)-hydrazinylmethyl]pyrazol-1-yl]-N,N-dimethylethanamine (PubChem CID 105208582) has the molecular formula C14H19Br2N5 and a molecular weight of 417.15 g/mol. Its IUPAC name is 2-[4-bromo-5-[(2-bromophenyl)-hydrazinylmethyl]pyrazol-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-bromo-5-[(2-bromophenyl)-hydrazinylmethyl]pyrazol-1-yl]-N,N-dimethylethanamine
PubChem CID105208582
Molecular FormulaC14H19Br2N5
Molecular Weight417.15 g/mol
Exact Mass415.00
IUPAC Name2-[4-bromo-5-[(2-bromophenyl)-hydrazinylmethyl]pyrazol-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCn1ncc(Br)c1C(NN)c1ccccc1Br
InChIInChI=1S/C14H19Br2N5/c1-20(2)7-8-21-14(12(16)9-18-21)13(19-17)10-5-3-4-6-11(10)15/h3-6,9,13,19H,7-8,17H2,1-2H3
InChIKeyOUHZWRCWZONJFO-UHFFFAOYSA-N
XLogP2.52
TPSA59.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.15
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-hydrazinylmethyl]aniline
CID 105223775
[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2-bromophenyl)methanol
CID 114634904
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
2-[5-[amino-(2-chlorophenyl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine
CID 114649288
2-[5-[amino-(3-bromo-2-fluorophenyl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine
CID 107953684
2-[4-bromo-5-[hydrazinyl-(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 105336514
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-(2-bromophenyl)ethanamine
CID 114650069
[(4-bromo-1-ethylpyrazol-5-yl)-(2-tert-butylphenyl)methyl]hydrazine
CID 105336163
[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-methylphenyl)methyl]hydrazine
CID 105200540
2-[(4-bromo-1-ethylpyrazol-5-yl)-hydrazinylmethyl]aniline
CID 105223904

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-5-[(2-bromophenyl)-hydrazinylmethyl]pyrazol-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-bromo-5-[(2-bromophenyl)-hydrazinylmethyl]pyrazol-1-yl]-N,N-dimethylethanamine (CID 105208582) is 2-[4-bromo-5-[(2-bromophenyl)-hydrazinylmethyl]pyrazol-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-bromo-5-[(2-bromophenyl)-hydrazinylmethyl]pyrazol-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-bromo-5-[(2-bromophenyl)-hydrazinylmethyl]pyrazol-1-yl]-N,N-dimethylethanamine is CN(C)CCn1ncc(Br)c1C(NN)c1ccccc1Br.
What is the InChIKey of 2-[4-bromo-5-[(2-bromophenyl)-hydrazinylmethyl]pyrazol-1-yl]-N,N-dimethylethanamine?
The InChIKey is OUHZWRCWZONJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Br2N5/c1-20(2)7-8-21-14(12(16)9-18-21)13(19-17)10-5-3-4-6-11(10)15/h3-6,9,13,19H,7-8,17H2,1-2H3.
What are the key properties of 2-[4-bromo-5-[(2-bromophenyl)-hydrazinylmethyl]pyrazol-1-yl]-N,N-dimethylethanamine?
2-[4-bromo-5-[(2-bromophenyl)-hydrazinylmethyl]pyrazol-1-yl]-N,N-dimethylethanamine has a molecular weight of 417.15 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-5-[(2-bromophenyl)-hydrazinylmethyl]pyrazol-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 105208582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).