2-[5-[amino-(2-bromo-5-methylphenyl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine

C15H20Br2N4 — CID 105041131

IUPAC2-[5-[amino-(2-bromo-5-methylphenyl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine
SMILESCc1ccc(Br)c(C(N)c2c(Br)cnn2CCN(C)C)c1
InChIInChI=1S/C15H20Br2N4/c1-10-4-5-12(16)11(8-10)14(18)15-13(17)9-19-21(15)7-6-20(2)3/h4-5,8-9,14H,6-7,18H2,1-3H3
InChIKeyAZEJMYKIEJTKCR-UHFFFAOYSA-N
MW416.16 g/mol
LogP3.33
Rot. Bonds5

About 2-[5-[amino-(2-bromo-5-methylphenyl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine

2-[5-[amino-(2-bromo-5-methylphenyl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine (PubChem CID 105041131) has the molecular formula C15H20Br2N4 and a molecular weight of 416.16 g/mol. Its IUPAC name is 2-[5-[amino-(2-bromo-5-methylphenyl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[5-[amino-(2-bromo-5-methylphenyl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine
PubChem CID105041131
Molecular FormulaC15H20Br2N4
Molecular Weight416.16 g/mol
Exact Mass414.01
IUPAC Name2-[5-[amino-(2-bromo-5-methylphenyl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine
SMILESCc1ccc(Br)c(C(N)c2c(Br)cnn2CCN(C)C)c1
InChIInChI=1S/C15H20Br2N4/c1-10-4-5-12(16)11(8-10)14(18)15-13(17)9-19-21(15)7-6-20(2)3/h4-5,8-9,14H,6-7,18H2,1-3H3
InChIKeyAZEJMYKIEJTKCR-UHFFFAOYSA-N
XLogP3.33
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.16
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-[amino-(2-fluoro-5-methylphenyl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine
CID 105040981
2-[5-[amino-(2-bromo-4-fluorophenyl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine
CID 105041093
[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2,5-dimethylphenyl)methanol
CID 114634948
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-[5-[amino-(3-fluorophenyl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine
CID 114646291
2-[5-[amino-(4-chloro-3-methylphenyl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine
CID 105041034
2-[5-[amino-(3-chlorothiophen-2-yl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine
CID 105041078
2-[5-[amino-(4-methoxyphenyl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine
CID 114646010
[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(2-bromo-5-fluorophenyl)methanol
CID 115834985
(2-bromo-5-methylphenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine
CID 105046840
2-[4-bromo-5-[methylamino-(4-methylphenyl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 114646966

Frequently Asked Questions

What is the IUPAC name of 2-[5-[amino-(2-bromo-5-methylphenyl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[5-[amino-(2-bromo-5-methylphenyl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine (CID 105041131) is 2-[5-[amino-(2-bromo-5-methylphenyl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[5-[amino-(2-bromo-5-methylphenyl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[5-[amino-(2-bromo-5-methylphenyl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine is Cc1ccc(Br)c(C(N)c2c(Br)cnn2CCN(C)C)c1.
What is the InChIKey of 2-[5-[amino-(2-bromo-5-methylphenyl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine?
The InChIKey is AZEJMYKIEJTKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Br2N4/c1-10-4-5-12(16)11(8-10)14(18)15-13(17)9-19-21(15)7-6-20(2)3/h4-5,8-9,14H,6-7,18H2,1-3H3.
What are the key properties of 2-[5-[amino-(2-bromo-5-methylphenyl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine?
2-[5-[amino-(2-bromo-5-methylphenyl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine has a molecular weight of 416.16 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[amino-(2-bromo-5-methylphenyl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 105041131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).