N-[(3-bromo-4-methylphenyl)-(2-ethylpyrazol-3-yl)methyl]ethanamine

C15H20BrN3 — CID 115857967

IUPACN-[(3-bromo-4-methylphenyl)-(2-ethylpyrazol-3-yl)methyl]ethanamine
SMILESCCNC(c1ccc(C)c(Br)c1)c1ccnn1CC
InChIInChI=1S/C15H20BrN3/c1-4-17-15(14-8-9-18-19(14)5-2)12-7-6-11(3)13(16)10-12/h6-10,15,17H,4-5H2,1-3H3
InChIKeyKYHAKCJHAGDIJK-UHFFFAOYSA-N
MW322.25 g/mol
LogP3.67
Rot. Bonds5

About N-[(3-bromo-4-methylphenyl)-(2-ethylpyrazol-3-yl)methyl]ethanamine

N-[(3-bromo-4-methylphenyl)-(2-ethylpyrazol-3-yl)methyl]ethanamine (PubChem CID 115857967) has the molecular formula C15H20BrN3 and a molecular weight of 322.25 g/mol. Its IUPAC name is N-[(3-bromo-4-methylphenyl)-(2-ethylpyrazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-bromo-4-methylphenyl)-(2-ethylpyrazol-3-yl)methyl]ethanamine
PubChem CID115857967
Molecular FormulaC15H20BrN3
Molecular Weight322.25 g/mol
Exact Mass321.08
IUPAC NameN-[(3-bromo-4-methylphenyl)-(2-ethylpyrazol-3-yl)methyl]ethanamine
SMILESCCNC(c1ccc(C)c(Br)c1)c1ccnn1CC
InChIInChI=1S/C15H20BrN3/c1-4-17-15(14-8-9-18-19(14)5-2)12-7-6-11(3)13(16)10-12/h6-10,15,17H,4-5H2,1-3H3
InChIKeyKYHAKCJHAGDIJK-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-chloro-4-methylphenyl)-(2-ethylpyrazol-3-yl)methyl]ethanamine
CID 115858232
N-[(3-bromo-4-methylphenyl)-phenylmethyl]ethanamine
CID 81471923
N-[(3-bromo-4-chlorophenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 113337176
N-[(2-bromo-3-methylphenyl)-(2-ethylpyrazol-3-yl)methyl]ethanamine
CID 107984980
N-[(3-bromo-4-methylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]ethanamine
CID 105042548
N-[(3-bromo-4-methylphenyl)-(4-bromo-1-propan-2-ylpyrazol-5-yl)methyl]ethanamine
CID 105042122
N-[(2-ethylpyrazol-3-yl)-phenylmethyl]propan-1-amine
CID 63976584
N-[(2-ethylpyrazol-3-yl)-(4-iodophenyl)methyl]propan-1-amine
CID 115858269
[(4-bromo-3-methylphenyl)-(2-propylpyrazol-3-yl)methyl]hydrazine
CID 105306921
N-[(2-ethylpyrazol-3-yl)-pyridin-4-ylmethyl]propan-1-amine
CID 63976367
N-[(3-bromo-4-methylphenyl)-(3,4-dichlorophenyl)methyl]propan-1-amine
CID 81457977
N-[(2,6-dimethyl-3-pyridinyl)-(2-ethylpyrazol-3-yl)methyl]ethanamine
CID 105148360

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-methylphenyl)-(2-ethylpyrazol-3-yl)methyl]ethanamine?
The IUPAC name of N-[(3-bromo-4-methylphenyl)-(2-ethylpyrazol-3-yl)methyl]ethanamine (CID 115857967) is N-[(3-bromo-4-methylphenyl)-(2-ethylpyrazol-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-bromo-4-methylphenyl)-(2-ethylpyrazol-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-bromo-4-methylphenyl)-(2-ethylpyrazol-3-yl)methyl]ethanamine is CCNC(c1ccc(C)c(Br)c1)c1ccnn1CC.
What is the InChIKey of N-[(3-bromo-4-methylphenyl)-(2-ethylpyrazol-3-yl)methyl]ethanamine?
The InChIKey is KYHAKCJHAGDIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3/c1-4-17-15(14-8-9-18-19(14)5-2)12-7-6-11(3)13(16)10-12/h6-10,15,17H,4-5H2,1-3H3.
What are the key properties of N-[(3-bromo-4-methylphenyl)-(2-ethylpyrazol-3-yl)methyl]ethanamine?
N-[(3-bromo-4-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-[(3-bromo-4-methylphenyl)-(2-ethylpyrazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 115857967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).