N-[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-pyridin-4-ylmethyl]ethanamine

C14H19BrN4O — CID 114647235

IUPACN-[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-pyridin-4-ylmethyl]ethanamine
SMILESCCNC(c1ccncc1)c1c(Br)cnn1CCOC
InChIInChI=1S/C14H19BrN4O/c1-3-17-13(11-4-6-16-7-5-11)14-12(15)10-18-19(14)8-9-20-2/h4-7,10,13,17H,3,8-9H2,1-2H3
InChIKeyMCQANKAWSSOCOV-UHFFFAOYSA-N
MW339.24 g/mol
LogP2.39
Rot. Bonds7

About N-[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-pyridin-4-ylmethyl]ethanamine

N-[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-pyridin-4-ylmethyl]ethanamine (PubChem CID 114647235) has the molecular formula C14H19BrN4O and a molecular weight of 339.24 g/mol. Its IUPAC name is N-[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-pyridin-4-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-pyridin-4-ylmethyl]ethanamine
PubChem CID114647235
Molecular FormulaC14H19BrN4O
Molecular Weight339.24 g/mol
Exact Mass338.07
IUPAC NameN-[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-pyridin-4-ylmethyl]ethanamine
SMILESCCNC(c1ccncc1)c1c(Br)cnn1CCOC
InChIInChI=1S/C14H19BrN4O/c1-3-17-13(11-4-6-16-7-5-11)14-12(15)10-18-19(14)8-9-20-2/h4-7,10,13,17H,3,8-9H2,1-2H3
InChIKeyMCQANKAWSSOCOV-UHFFFAOYSA-N
XLogP2.39
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.24
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-methylphenyl)methyl]ethanamine
CID 114647731
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-pyridin-4-ylmethanol
CID 114634365
N-[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(1-methylimidazol-2-yl)methyl]ethanamine
CID 114659306
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-1-(4-bromophenyl)-N-methylmethanamine
CID 114646225
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N,2-diethylbutan-1-amine
CID 105042924
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-ethyl-2,3-dimethylbutan-1-amine
CID 105043131
[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(4-methoxyphenyl)methyl]hydrazine
CID 105190947
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-ethyl-3-methylpentan-1-amine
CID 105042954
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-1-(2,5-dimethylphenyl)-N-methylmethanamine
CID 105043001
N-[[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(furan-3-yl)methyl]ethanamine
CID 114652418
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-ethyl-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 105184211
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-1-(3-bromophenyl)-N-methylmethanamine
CID 114647389

Frequently Asked Questions

What is the IUPAC name of N-[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-pyridin-4-ylmethyl]ethanamine?
The IUPAC name of N-[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-pyridin-4-ylmethyl]ethanamine (CID 114647235) is N-[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-pyridin-4-ylmethyl]ethanamine.
What is the SMILES notation for N-[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-pyridin-4-ylmethyl]ethanamine?
The canonical SMILES for N-[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-pyridin-4-ylmethyl]ethanamine is CCNC(c1ccncc1)c1c(Br)cnn1CCOC.
What is the InChIKey of N-[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-pyridin-4-ylmethyl]ethanamine?
The InChIKey is MCQANKAWSSOCOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN4O/c1-3-17-13(11-4-6-16-7-5-11)14-12(15)10-18-19(14)8-9-20-2/h4-7,10,13,17H,3,8-9H2,1-2H3.
What are the key properties of N-[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-pyridin-4-ylmethyl]ethanamine?
N-[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-pyridin-4-ylmethyl]ethanamine has a molecular weight of 339.24 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-pyridin-4-ylmethyl]ethanamine is sourced from PubChem (CID 114647235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).