N-[(2-bromo-3-methylphenyl)-(2-ethylpyrazol-3-yl)methyl]ethanamine

C15H20BrN3 — CID 107984980

IUPACN-[(2-bromo-3-methylphenyl)-(2-ethylpyrazol-3-yl)methyl]ethanamine
SMILESCCNC(c1cccc(C)c1Br)c1ccnn1CC
InChIInChI=1S/C15H20BrN3/c1-4-17-15(13-9-10-18-19(13)5-2)12-8-6-7-11(3)14(12)16/h6-10,15,17H,4-5H2,1-3H3
InChIKeyOEESZBQHLWUGNX-UHFFFAOYSA-N
MW322.25 g/mol
LogP3.67
Rot. Bonds5

About N-[(2-bromo-3-methylphenyl)-(2-ethylpyrazol-3-yl)methyl]ethanamine

N-[(2-bromo-3-methylphenyl)-(2-ethylpyrazol-3-yl)methyl]ethanamine (PubChem CID 107984980) has the molecular formula C15H20BrN3 and a molecular weight of 322.25 g/mol. Its IUPAC name is N-[(2-bromo-3-methylphenyl)-(2-ethylpyrazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-bromo-3-methylphenyl)-(2-ethylpyrazol-3-yl)methyl]ethanamine
PubChem CID107984980
Molecular FormulaC15H20BrN3
Molecular Weight322.25 g/mol
Exact Mass321.08
IUPAC NameN-[(2-bromo-3-methylphenyl)-(2-ethylpyrazol-3-yl)methyl]ethanamine
SMILESCCNC(c1cccc(C)c1Br)c1ccnn1CC
InChIInChI=1S/C15H20BrN3/c1-4-17-15(13-9-10-18-19(13)5-2)12-8-6-7-11(3)14(12)16/h6-10,15,17H,4-5H2,1-3H3
InChIKeyOEESZBQHLWUGNX-UHFFFAOYSA-N
XLogP3.67
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-bromo-4-methylphenyl)-(2-ethylpyrazol-3-yl)methyl]ethanamine
CID 115857967
1-(2-chloro-3-methylphenyl)-1-(2-ethylpyrazol-3-yl)-N-methylmethanamine
CID 115857986
1-(2-ethylpyrazol-3-yl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
CID 115858049
N-[(2,6-dimethyl-3-pyridinyl)-(2-ethylpyrazol-3-yl)methyl]ethanamine
CID 105148360
N-[(2-bromo-3-methylphenyl)-(2,5-dimethylfuran-3-yl)methyl]ethanamine
CID 107982004
N-[(3-chloro-4-methylphenyl)-(2-ethylpyrazol-3-yl)methyl]ethanamine
CID 115858232
1-(2-bromo-3-methylphenyl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine
CID 107984986
N-[(2-ethylpyrazol-3-yl)-pyridin-2-ylmethyl]ethanamine
CID 63975523
(2-bromo-3-methylphenyl)-(2-propylpyrazol-3-yl)methanamine
CID 114024209
N-[(2-ethylpyrazol-3-yl)-(2-methoxy-4-methylphenyl)methyl]ethanamine
CID 106792297
N-[(2-bromo-3-methylphenyl)-(5-bromo-2-methylthiophen-3-yl)methyl]ethanamine
CID 107982055
N-[(2-bromo-3-methylphenyl)-(5-bromo-3-methyltriazol-4-yl)methyl]ethanamine
CID 107985564

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-3-methylphenyl)-(2-ethylpyrazol-3-yl)methyl]ethanamine?
The IUPAC name of N-[(2-bromo-3-methylphenyl)-(2-ethylpyrazol-3-yl)methyl]ethanamine (CID 107984980) is N-[(2-bromo-3-methylphenyl)-(2-ethylpyrazol-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-bromo-3-methylphenyl)-(2-ethylpyrazol-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-bromo-3-methylphenyl)-(2-ethylpyrazol-3-yl)methyl]ethanamine is CCNC(c1cccc(C)c1Br)c1ccnn1CC.
What is the InChIKey of N-[(2-bromo-3-methylphenyl)-(2-ethylpyrazol-3-yl)methyl]ethanamine?
The InChIKey is OEESZBQHLWUGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3/c1-4-17-15(13-9-10-18-19(13)5-2)12-8-6-7-11(3)14(12)16/h6-10,15,17H,4-5H2,1-3H3.
What are the key properties of N-[(2-bromo-3-methylphenyl)-(2-ethylpyrazol-3-yl)methyl]ethanamine?
N-[(2-bromo-3-methylphenyl)-(2-ethylpyrazol-3-yl)methyl]ethanamine has a molecular weight of 322.25 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-3-methylphenyl)-(2-ethylpyrazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 107984980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).