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

C12H20BrN7 — CID 105228636

IUPAC2-[4-bromo-5-[hydrazinyl-(1-methylpyrazol-3-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCn1ncc(Br)c1C(NN)c1ccn(C)n1
InChIInChI=1S/C12H20BrN7/c1-18(2)6-7-20-12(9(13)8-15-20)11(16-14)10-4-5-19(3)17-10/h4-5,8,11,16H,6-7,14H2,1-3H3
InChIKeyCWRVEJJLUQLHJK-UHFFFAOYSA-N
MW342.25 g/mol
LogP0.49
Rot. Bonds6

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

2-[4-bromo-5-[hydrazinyl-(1-methylpyrazol-3-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine (PubChem CID 105228636) has the molecular formula C12H20BrN7 and a molecular weight of 342.25 g/mol. Its IUPAC name is 2-[4-bromo-5-[hydrazinyl-(1-methylpyrazol-3-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-bromo-5-[hydrazinyl-(1-methylpyrazol-3-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
PubChem CID105228636
Molecular FormulaC12H20BrN7
Molecular Weight342.25 g/mol
Exact Mass341.10
IUPAC Name2-[4-bromo-5-[hydrazinyl-(1-methylpyrazol-3-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCn1ncc(Br)c1C(NN)c1ccn(C)n1
InChIInChI=1S/C12H20BrN7/c1-18(2)6-7-20-12(9(13)8-15-20)11(16-14)10-4-5-19(3)17-10/h4-5,8,11,16H,6-7,14H2,1-3H3
InChIKeyCWRVEJJLUQLHJK-UHFFFAOYSA-N
XLogP0.49
TPSA76.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.25
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-(2-methyl-1,3-thiazol-4-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 105336514
2-[[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-hydrazinylmethyl]aniline
CID 105223775
2-[4-bromo-5-[hydrazinyl(thiadiazol-5-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 105336482
N-[(4-bromo-1-propylpyrazol-5-yl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 114654562
2-[4-bromo-5-[methylamino-(4-methylphenyl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 114646966
2-[4-bromo-5-(1-hydrazinyl-2-methoxypropyl)pyrazol-1-yl]-N,N-dimethylethanamine
CID 105246875
3-hydrazinyl-N,N-dimethyl-3-(1-methylpyrazol-3-yl)propan-1-amine
CID 103140522
2-[4-bromo-5-[methylamino(pyrazin-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 114648082
2-[4-bromo-5-(2-tert-butylsulfanyl-1-hydrazinylethyl)pyrazol-1-yl]-N,N-dimethylethanamine
CID 105226390
2-[4-bromo-5-[3-(furan-2-yl)-1-hydrazinylpropyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 105336492
2-[4-chloro-5-[(4-chlorophenyl)-hydrazinylmethyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 105193337

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-5-[hydrazinyl-(1-methylpyrazol-3-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-bromo-5-[hydrazinyl-(1-methylpyrazol-3-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine (CID 105228636) is 2-[4-bromo-5-[hydrazinyl-(1-methylpyrazol-3-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-bromo-5-[hydrazinyl-(1-methylpyrazol-3-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-bromo-5-[hydrazinyl-(1-methylpyrazol-3-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine is CN(C)CCn1ncc(Br)c1C(NN)c1ccn(C)n1.
What is the InChIKey of 2-[4-bromo-5-[hydrazinyl-(1-methylpyrazol-3-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine?
The InChIKey is CWRVEJJLUQLHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrN7/c1-18(2)6-7-20-12(9(13)8-15-20)11(16-14)10-4-5-19(3)17-10/h4-5,8,11,16H,6-7,14H2,1-3H3.
What are the key properties of 2-[4-bromo-5-[hydrazinyl-(1-methylpyrazol-3-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine?
2-[4-bromo-5-[hydrazinyl-(1-methylpyrazol-3-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine has a molecular weight of 342.25 g/mol, XLogP of 0.49, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-5-[hydrazinyl-(1-methylpyrazol-3-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 105228636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).