2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(2-methoxy-3-pyridinyl)ethanamine

C15H21BrN4O — CID 105160979

IUPAC2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(2-methoxy-3-pyridinyl)ethanamine
SMILESCCNC(Cc1c(Br)c(C)nn1C)c1cccnc1OC
InChIInChI=1S/C15H21BrN4O/c1-5-17-12(11-7-6-8-18-15(11)21-4)9-13-14(16)10(2)19-20(13)3/h6-8,12,17H,5,9H2,1-4H3
InChIKeyQUFGLPMAGJCXRN-UHFFFAOYSA-N
MW353.26 g/mol
LogP2.79
Rot. Bonds6

About 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(2-methoxy-3-pyridinyl)ethanamine

2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(2-methoxy-3-pyridinyl)ethanamine (PubChem CID 105160979) has the molecular formula C15H21BrN4O and a molecular weight of 353.26 g/mol. Its IUPAC name is 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(2-methoxy-3-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(2-methoxy-3-pyridinyl)ethanamine
PubChem CID105160979
Molecular FormulaC15H21BrN4O
Molecular Weight353.26 g/mol
Exact Mass352.09
IUPAC Name2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(2-methoxy-3-pyridinyl)ethanamine
SMILESCCNC(Cc1c(Br)c(C)nn1C)c1cccnc1OC
InChIInChI=1S/C15H21BrN4O/c1-5-17-12(11-7-6-8-18-15(11)21-4)9-13-14(16)10(2)19-20(13)3/h6-8,12,17H,5,9H2,1-4H3
InChIKeyQUFGLPMAGJCXRN-UHFFFAOYSA-N
XLogP2.79
TPSA51.97 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 ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2-methoxy-3-pyridinyl)ethanamine
CID 105160896
N-ethyl-1-(2-methoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 105167171
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(3-chloro-4-pyridinyl)-N-ethylethanamine
CID 105160960
2-(3,5-dimethylphenyl)-N-ethyl-1-(2-methoxy-3-pyridinyl)ethanamine
CID 105099080
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(2-methylpyrimidin-4-yl)ethanamine
CID 115530947
N-ethyl-2-(2-ethyl-5-methylpyrazol-3-yl)-1-(2-methoxy-3-pyridinyl)ethanamine
CID 105162407
N-ethyl-2-(5-ethylthiophen-2-yl)-1-(2-methoxy-3-pyridinyl)ethanamine
CID 105136035
N-[(5-bromo-3-methyltriazol-4-yl)-(2-methoxy-3-pyridinyl)methyl]ethanamine
CID 106464806
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2-chloro-6-fluorophenyl)-N-ethylethanamine
CID 105000219
[2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2-methoxy-3-pyridinyl)ethyl]hydrazine
CID 105334017
N-ethyl-1-(2-methoxy-3-pyridinyl)-3-phenylpropan-1-amine
CID 105094165
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(5-methylfuran-3-yl)ethanamine
CID 105000428

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(2-methoxy-3-pyridinyl)ethanamine?
The IUPAC name of 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(2-methoxy-3-pyridinyl)ethanamine (CID 105160979) is 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(2-methoxy-3-pyridinyl)ethanamine.
What is the SMILES notation for 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(2-methoxy-3-pyridinyl)ethanamine?
The canonical SMILES for 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(2-methoxy-3-pyridinyl)ethanamine is CCNC(Cc1c(Br)c(C)nn1C)c1cccnc1OC.
What is the InChIKey of 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(2-methoxy-3-pyridinyl)ethanamine?
The InChIKey is QUFGLPMAGJCXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN4O/c1-5-17-12(11-7-6-8-18-15(11)21-4)9-13-14(16)10(2)19-20(13)3/h6-8,12,17H,5,9H2,1-4H3.
What are the key properties of 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(2-methoxy-3-pyridinyl)ethanamine?
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(2-methoxy-3-pyridinyl)ethanamine has a molecular weight of 353.26 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(2-methoxy-3-pyridinyl)ethanamine is sourced from PubChem (CID 105160979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).