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

C15H21BrN4O — CID 114646010

IUPAC2-[5-[amino-(4-methoxyphenyl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine
SMILESCOc1ccc(C(N)c2c(Br)cnn2CCN(C)C)cc1
InChIInChI=1S/C15H21BrN4O/c1-19(2)8-9-20-15(13(16)10-18-20)14(17)11-4-6-12(21-3)7-5-11/h4-7,10,14H,8-9,17H2,1-3H3
InChIKeyCLJWBJSAUIOSCI-UHFFFAOYSA-N
MW353.26 g/mol
LogP2.26
Rot. Bonds6

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

2-[5-[amino-(4-methoxyphenyl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine (PubChem CID 114646010) has the molecular formula C15H21BrN4O and a molecular weight of 353.26 g/mol. Its IUPAC name is 2-[5-[amino-(4-methoxyphenyl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[5-[amino-(4-methoxyphenyl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine
PubChem CID114646010
Molecular FormulaC15H21BrN4O
Molecular Weight353.26 g/mol
Exact Mass352.09
IUPAC Name2-[5-[amino-(4-methoxyphenyl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine
SMILESCOc1ccc(C(N)c2c(Br)cnn2CCN(C)C)cc1
InChIInChI=1S/C15H21BrN4O/c1-19(2)8-9-20-15(13(16)10-18-20)14(17)11-4-6-12(21-3)7-5-11/h4-7,10,14H,8-9,17H2,1-3H3
InChIKeyCLJWBJSAUIOSCI-UHFFFAOYSA-N
XLogP2.26
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.26
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-[amino-(6-methoxypyridazin-3-yl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine
CID 103374066
2-[5-[amino-(4-chloro-3-methylphenyl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine
CID 105041034
2-[5-[amino-(3-fluorophenyl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine
CID 114646291
(4-bromo-1-propylpyrazol-5-yl)-(3,5-dimethoxyphenyl)methanamine
CID 105041471
2-[5-[amino-(2-bromo-5-methylphenyl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine
CID 105041131
2-[5-[amino-(2-chlorophenyl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine
CID 114649288
2-[5-[amino-(2-bromo-4-fluorophenyl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine
CID 105041093
2-[5-[amino-(3-bromo-2-fluorophenyl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine
CID 107953684
2-[5-[amino-(5-bromothiophen-3-yl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
CID 105182790
(4-bromo-1-ethylpyrazol-5-yl)-(3,5-dimethoxyphenyl)methanamine
CID 105040325
2-[5-[amino-(3-chlorothiophen-2-yl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine
CID 105041078
[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(4-methoxyphenyl)methyl]hydrazine
CID 105190947

Frequently Asked Questions

What is the IUPAC name of 2-[5-[amino-(4-methoxyphenyl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[5-[amino-(4-methoxyphenyl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine (CID 114646010) is 2-[5-[amino-(4-methoxyphenyl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[5-[amino-(4-methoxyphenyl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[5-[amino-(4-methoxyphenyl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine is COc1ccc(C(N)c2c(Br)cnn2CCN(C)C)cc1.
What is the InChIKey of 2-[5-[amino-(4-methoxyphenyl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine?
The InChIKey is CLJWBJSAUIOSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN4O/c1-19(2)8-9-20-15(13(16)10-18-20)14(17)11-4-6-12(21-3)7-5-11/h4-7,10,14H,8-9,17H2,1-3H3.
What are the key properties of 2-[5-[amino-(4-methoxyphenyl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine?
2-[5-[amino-(4-methoxyphenyl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine has a molecular weight of 353.26 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[amino-(4-methoxyphenyl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 114646010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).