2-[4-bromo-5-[hydrazinyl-(2-methyloxolan-3-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine

C13H24BrN5O — CID 105336500

IUPAC2-[4-bromo-5-[hydrazinyl-(2-methyloxolan-3-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
SMILESCC1OCCC1C(NN)c1c(Br)cnn1CCN(C)C
InChIInChI=1S/C13H24BrN5O/c1-9-10(4-7-20-9)12(17-15)13-11(14)8-16-19(13)6-5-18(2)3/h8-10,12,17H,4-7,15H2,1-3H3
InChIKeyLPHHHTGOFJDBDA-UHFFFAOYSA-N
MW346.27 g/mol
LogP1.14
Rot. Bonds6

About 2-[4-bromo-5-[hydrazinyl-(2-methyloxolan-3-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine

2-[4-bromo-5-[hydrazinyl-(2-methyloxolan-3-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine (PubChem CID 105336500) has the molecular formula C13H24BrN5O and a molecular weight of 346.27 g/mol. Its IUPAC name is 2-[4-bromo-5-[hydrazinyl-(2-methyloxolan-3-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-bromo-5-[hydrazinyl-(2-methyloxolan-3-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
PubChem CID105336500
Molecular FormulaC13H24BrN5O
Molecular Weight346.27 g/mol
Exact Mass345.12
IUPAC Name2-[4-bromo-5-[hydrazinyl-(2-methyloxolan-3-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
SMILESCC1OCCC1C(NN)c1c(Br)cnn1CCN(C)C
InChIInChI=1S/C13H24BrN5O/c1-9-10(4-7-20-9)12(17-15)13-11(14)8-16-19(13)6-5-18(2)3/h8-10,12,17H,4-7,15H2,1-3H3
InChIKeyLPHHHTGOFJDBDA-UHFFFAOYSA-N
XLogP1.14
TPSA68.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 51.14
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

[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-methyloxolan-3-yl)methyl]hydrazine
CID 105336963
2-[5-[2-bicyclo[2.2.1]heptanyl(hydrazinyl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine
CID 105266654
[(4-bromo-1-propylpyrazol-5-yl)-(3-methyloxolan-2-yl)methyl]hydrazine
CID 105336709
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-methyloxolan-3-yl)methanamine
CID 105043083
2-[4-bromo-5-[1,4-dioxan-2-yl(methylamino)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 105041124
2-[5-[amino-(2-methylcyclopentyl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine
CID 107190968
2-[4-bromo-5-[(2-bromophenyl)-hydrazinylmethyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 105208582
2-[5-[amino-(5-methyloxolan-2-yl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine
CID 105040993
2-[5-[hydrazinyl(oxan-2-yl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
CID 105336037
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-3-(oxolan-2-yl)propan-1-amine
CID 105041029
[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(oxolan-2-yl)methyl]hydrazine
CID 105229175
2-[4-bromo-5-(2-tert-butylsulfanyl-1-hydrazinylethyl)pyrazol-1-yl]-N,N-dimethylethanamine
CID 105226390

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-5-[hydrazinyl-(2-methyloxolan-3-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-bromo-5-[hydrazinyl-(2-methyloxolan-3-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine (CID 105336500) is 2-[4-bromo-5-[hydrazinyl-(2-methyloxolan-3-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-bromo-5-[hydrazinyl-(2-methyloxolan-3-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-bromo-5-[hydrazinyl-(2-methyloxolan-3-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine is CC1OCCC1C(NN)c1c(Br)cnn1CCN(C)C.
What is the InChIKey of 2-[4-bromo-5-[hydrazinyl-(2-methyloxolan-3-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine?
The InChIKey is LPHHHTGOFJDBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24BrN5O/c1-9-10(4-7-20-9)12(17-15)13-11(14)8-16-19(13)6-5-18(2)3/h8-10,12,17H,4-7,15H2,1-3H3.
What are the key properties of 2-[4-bromo-5-[hydrazinyl-(2-methyloxolan-3-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine?
2-[4-bromo-5-[hydrazinyl-(2-methyloxolan-3-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine has a molecular weight of 346.27 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-5-[hydrazinyl-(2-methyloxolan-3-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 105336500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).