4-bromo-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline

C12H14BrN3 — CID 106756876

IUPAC4-bromo-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline
SMILESCC(Nc1ccc(Br)cc1)c1ccnn1C
InChIInChI=1S/C12H14BrN3/c1-9(12-7-8-14-16(12)2)15-11-5-3-10(13)4-6-11/h3-9,15H,1-2H3
InChIKeyGPXREAFYJUTGBX-UHFFFAOYSA-N
MW280.17 g/mol
LogP3.36
Rot. Bonds3

About 4-bromo-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline

4-bromo-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline (PubChem CID 106756876) has the molecular formula C12H14BrN3 and a molecular weight of 280.17 g/mol. Its IUPAC name is 4-bromo-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline.

Molecular Properties

Compound Name4-bromo-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline
PubChem CID106756876
Molecular FormulaC12H14BrN3
Molecular Weight280.17 g/mol
Exact Mass279.04
IUPAC Name4-bromo-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline
SMILESCC(Nc1ccc(Br)cc1)c1ccnn1C
InChIInChI=1S/C12H14BrN3/c1-9(12-7-8-14-16(12)2)15-11-5-3-10(13)4-6-11/h3-9,15H,1-2H3
InChIKeyGPXREAFYJUTGBX-UHFFFAOYSA-N
XLogP3.36
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.17
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline
CID 106756900
2,5-dibromo-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline
CID 106757432
6-chloro-N-[1-(2-methylpyrazol-3-yl)ethyl]pyridin-3-amine
CID 106758003
3-bromo-N-[1-(2-methylpyrazol-3-yl)ethyl]-4-nitroaniline
CID 106758020
2,2-dimethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]-1,3-benzodioxol-5-amine
CID 106757117
5-bromo-2-chloro-N-[1-(2-methylpyrazol-3-yl)ethyl]pyridin-3-amine
CID 114051921
N-[1-(2-methylpyrazol-3-yl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-amine
CID 106756822
3-chloro-4-methoxy-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline
CID 106756808
4-bromo-2,3-dichloro-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline
CID 107787459
6-(2-methoxyethoxy)-N-[1-(2-methylpyrazol-3-yl)ethyl]pyridin-3-amine
CID 106757206
3-ethynyl-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline
CID 106756777
[(4-bromophenyl)-(2-methylpyrazol-3-yl)methyl]hydrazine
CID 105192289

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline?
The IUPAC name of 4-bromo-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline (CID 106756876) is 4-bromo-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline.
What is the SMILES notation for 4-bromo-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline?
The canonical SMILES for 4-bromo-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline is CC(Nc1ccc(Br)cc1)c1ccnn1C.
What is the InChIKey of 4-bromo-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline?
The InChIKey is GPXREAFYJUTGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3/c1-9(12-7-8-14-16(12)2)15-11-5-3-10(13)4-6-11/h3-9,15H,1-2H3.
What are the key properties of 4-bromo-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline?
4-bromo-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline has a molecular weight of 280.17 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline is sourced from PubChem (CID 106756876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).