N-[(4-bromo-2-methoxyphenyl)-(1-ethylpyrazol-4-yl)methyl]ethanamine

C15H20BrN3O — CID 115816130

IUPACN-[(4-bromo-2-methoxyphenyl)-(1-ethylpyrazol-4-yl)methyl]ethanamine
SMILESCCNC(c1cnn(CC)c1)c1ccc(Br)cc1OC
InChIInChI=1S/C15H20BrN3O/c1-4-17-15(11-9-18-19(5-2)10-11)13-7-6-12(16)8-14(13)20-3/h6-10,15,17H,4-5H2,1-3H3
InChIKeyGIGGGTGVXROWGP-UHFFFAOYSA-N
MW338.25 g/mol
LogP3.37
Rot. Bonds6

About N-[(4-bromo-2-methoxyphenyl)-(1-ethylpyrazol-4-yl)methyl]ethanamine

N-[(4-bromo-2-methoxyphenyl)-(1-ethylpyrazol-4-yl)methyl]ethanamine (PubChem CID 115816130) has the molecular formula C15H20BrN3O and a molecular weight of 338.25 g/mol. Its IUPAC name is N-[(4-bromo-2-methoxyphenyl)-(1-ethylpyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-bromo-2-methoxyphenyl)-(1-ethylpyrazol-4-yl)methyl]ethanamine
PubChem CID115816130
Molecular FormulaC15H20BrN3O
Molecular Weight338.25 g/mol
Exact Mass337.08
IUPAC NameN-[(4-bromo-2-methoxyphenyl)-(1-ethylpyrazol-4-yl)methyl]ethanamine
SMILESCCNC(c1cnn(CC)c1)c1ccc(Br)cc1OC
InChIInChI=1S/C15H20BrN3O/c1-4-17-15(11-9-18-19(5-2)10-11)13-7-6-12(16)8-14(13)20-3/h6-10,15,17H,4-5H2,1-3H3
InChIKeyGIGGGTGVXROWGP-UHFFFAOYSA-N
XLogP3.37
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,4-dibromophenyl)-(1-ethylpyrazol-4-yl)methyl]ethanamine
CID 107945249
N-[(2-bromo-5-methylphenyl)-(1-ethylpyrazol-4-yl)methyl]ethanamine
CID 115815855
N-[(4-bromo-2-methoxyphenyl)-(4-chlorophenyl)methyl]ethanamine
CID 115368913
N-[(2-bromo-5-fluorophenyl)-(1-ethylpyrazol-4-yl)methyl]ethanamine
CID 115815982
N-[(1-ethylpyrazol-4-yl)-(3-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 115816115
N-[(4-bromo-2-methoxyphenyl)-(3-fluoro-5-methylphenyl)methyl]ethanamine
CID 105016507
N-[(3-bromo-4-fluorophenyl)-(4-bromo-2-methoxyphenyl)methyl]ethanamine
CID 115369013
N-[(4-bromo-2-methoxyphenyl)-pyrazin-2-ylmethyl]ethanamine
CID 115860499
N-[(4-bromo-2-methoxyphenyl)-(2-fluorophenyl)methyl]ethanamine
CID 115828081
N-[(1-ethylpyrazol-4-yl)-(2-methoxy-3-pyridinyl)methyl]ethanamine
CID 105109075
N-[(5-bromo-2-fluorophenyl)-(1-propylpyrazol-4-yl)methyl]ethanamine
CID 114894914
N-[(4-bromo-2-methoxyphenyl)-(2,3-difluorophenyl)methyl]ethanamine
CID 115861975

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2-methoxyphenyl)-(1-ethylpyrazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[(4-bromo-2-methoxyphenyl)-(1-ethylpyrazol-4-yl)methyl]ethanamine (CID 115816130) is N-[(4-bromo-2-methoxyphenyl)-(1-ethylpyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-bromo-2-methoxyphenyl)-(1-ethylpyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-bromo-2-methoxyphenyl)-(1-ethylpyrazol-4-yl)methyl]ethanamine is CCNC(c1cnn(CC)c1)c1ccc(Br)cc1OC.
What is the InChIKey of N-[(4-bromo-2-methoxyphenyl)-(1-ethylpyrazol-4-yl)methyl]ethanamine?
The InChIKey is GIGGGTGVXROWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O/c1-4-17-15(11-9-18-19(5-2)10-11)13-7-6-12(16)8-14(13)20-3/h6-10,15,17H,4-5H2,1-3H3.
What are the key properties of N-[(4-bromo-2-methoxyphenyl)-(1-ethylpyrazol-4-yl)methyl]ethanamine?
N-[(4-bromo-2-methoxyphenyl)-(1-ethylpyrazol-4-yl)methyl]ethanamine has a molecular weight of 338.25 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-2-methoxyphenyl)-(1-ethylpyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 115816130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).