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

C10H16BrN7S — CID 105336482

IUPAC2-[4-bromo-5-[hydrazinyl(thiadiazol-5-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCn1ncc(Br)c1C(NN)c1cnns1
InChIInChI=1S/C10H16BrN7S/c1-17(2)3-4-18-10(7(11)5-14-18)9(15-12)8-6-13-16-19-8/h5-6,9,15H,3-4,12H2,1-2H3
InChIKeyCLYLMGYJVDKJSE-UHFFFAOYSA-N
MW346.26 g/mol
LogP0.61
Rot. Bonds6

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

2-[4-bromo-5-[hydrazinyl(thiadiazol-5-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine (PubChem CID 105336482) has the molecular formula C10H16BrN7S and a molecular weight of 346.26 g/mol. Its IUPAC name is 2-[4-bromo-5-[hydrazinyl(thiadiazol-5-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-bromo-5-[hydrazinyl(thiadiazol-5-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
PubChem CID105336482
Molecular FormulaC10H16BrN7S
Molecular Weight346.26 g/mol
Exact Mass345.04
IUPAC Name2-[4-bromo-5-[hydrazinyl(thiadiazol-5-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCn1ncc(Br)c1C(NN)c1cnns1
InChIInChI=1S/C10H16BrN7S/c1-17(2)3-4-18-10(7(11)5-14-18)9(15-12)8-6-13-16-19-8/h5-6,9,15H,3-4,12H2,1-2H3
InChIKeyCLYLMGYJVDKJSE-UHFFFAOYSA-N
XLogP0.61
TPSA84.89 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.26
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-5-[(2-bromophenyl)-hydrazinylmethyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 105208582
2-[4-bromo-5-[hydrazinyl-(1-methylpyrazol-3-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 105228636
N-[(4-bromo-1-propylpyrazol-5-yl)-(thiadiazol-5-yl)methyl]propan-1-amine
CID 105183524
2-[[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-hydrazinylmethyl]aniline
CID 105223775
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-(1-hydrazinyl-2-methoxypropyl)pyrazol-1-yl]-N,N-dimethylethanamine
CID 105246875
3-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]butan-1-amine
CID 114666504
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 114656523
2-[4-bromo-5-(2-tert-butylsulfanyl-1-hydrazinylethyl)pyrazol-1-yl]-N,N-dimethylethanamine
CID 105226390
2-[4-bromo-5-[methylamino-(4-methylphenyl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 114646966
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-N,2-dimethylpropan-1-amine
CID 114647581
2-[4-bromo-5-(2-ethoxy-1-hydrazinyl-3-methylbutyl)pyrazol-1-yl]-N,N-dimethylethanamine
CID 105272360

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-5-[hydrazinyl(thiadiazol-5-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-bromo-5-[hydrazinyl(thiadiazol-5-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine (CID 105336482) is 2-[4-bromo-5-[hydrazinyl(thiadiazol-5-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-bromo-5-[hydrazinyl(thiadiazol-5-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-bromo-5-[hydrazinyl(thiadiazol-5-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine is CN(C)CCn1ncc(Br)c1C(NN)c1cnns1.
What is the InChIKey of 2-[4-bromo-5-[hydrazinyl(thiadiazol-5-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine?
The InChIKey is CLYLMGYJVDKJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN7S/c1-17(2)3-4-18-10(7(11)5-14-18)9(15-12)8-6-13-16-19-8/h5-6,9,15H,3-4,12H2,1-2H3.
What are the key properties of 2-[4-bromo-5-[hydrazinyl(thiadiazol-5-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine?
2-[4-bromo-5-[hydrazinyl(thiadiazol-5-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine has a molecular weight of 346.26 g/mol, XLogP of 0.61, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-5-[hydrazinyl(thiadiazol-5-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 105336482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).