1-[5-bromo-2-(3-methylpyrazol-1-yl)phenyl]ethanamine

C12H14BrN3 — CID 82967919

IUPAC1-[5-bromo-2-(3-methylpyrazol-1-yl)phenyl]ethanamine
SMILESCc1ccn(-c2ccc(Br)cc2C(C)N)n1
InChIInChI=1S/C12H14BrN3/c1-8-5-6-16(15-8)12-4-3-10(13)7-11(12)9(2)14/h3-7,9H,14H2,1-2H3
InChIKeyTZGPSRUHXYZQFG-UHFFFAOYSA-N
MW280.17 g/mol
LogP2.96
Rot. Bonds2

About 1-[5-bromo-2-(3-methylpyrazol-1-yl)phenyl]ethanamine

1-[5-bromo-2-(3-methylpyrazol-1-yl)phenyl]ethanamine (PubChem CID 82967919) has the molecular formula C12H14BrN3 and a molecular weight of 280.17 g/mol. Its IUPAC name is 1-[5-bromo-2-(3-methylpyrazol-1-yl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[5-bromo-2-(3-methylpyrazol-1-yl)phenyl]ethanamine
PubChem CID82967919
Molecular FormulaC12H14BrN3
Molecular Weight280.17 g/mol
Exact Mass279.04
IUPAC Name1-[5-bromo-2-(3-methylpyrazol-1-yl)phenyl]ethanamine
SMILESCc1ccn(-c2ccc(Br)cc2C(C)N)n1
InChIInChI=1S/C12H14BrN3/c1-8-5-6-16(15-8)12-4-3-10(13)7-11(12)9(2)14/h3-7,9H,14H2,1-2H3
InChIKeyTZGPSRUHXYZQFG-UHFFFAOYSA-N
XLogP2.96
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.17
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-bromo-2-(3-methylpyrazol-1-yl)phenyl]-N-ethylethanamine
CID 82968056
1-[5-bromo-2-(3-methylpyrazol-1-yl)phenyl]propan-2-amine
CID 114061991
5-bromo-2-(3-methylpyrazol-1-yl)aniline
CID 62492609
1-(5-bromo-2-imidazol-1-ylphenyl)ethanamine
CID 82968273
5-bromo-2-(3-methylpyrazol-1-yl)benzoic acid
CID 114896062
1-[3-fluoro-4-(3-methylpyrazol-1-yl)phenyl]ethanamine
CID 62488667
1-[5-bromo-2-(3-methylpyrazol-1-yl)phenyl]ethanone
CID 82966911
1-(5-bromo-2-methylphenyl)ethanamine
CID 82647898
(1R)-1-[5-fluoro-2-(3-methylpyrazol-1-yl)phenyl]ethanol
CID 63372283
3-methyl-1-(2-pentan-3-yl-4-propylphenyl)pyrazole
CID 126760476
1-[2-(3-methylpyrazol-1-yl)phenyl]propan-1-amine
CID 112678344
1-[4-bromo-2-(4-bromopyrazol-1-yl)phenyl]ethanamine
CID 82968622

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-(3-methylpyrazol-1-yl)phenyl]ethanamine?
The IUPAC name of 1-[5-bromo-2-(3-methylpyrazol-1-yl)phenyl]ethanamine (CID 82967919) is 1-[5-bromo-2-(3-methylpyrazol-1-yl)phenyl]ethanamine.
What is the SMILES notation for 1-[5-bromo-2-(3-methylpyrazol-1-yl)phenyl]ethanamine?
The canonical SMILES for 1-[5-bromo-2-(3-methylpyrazol-1-yl)phenyl]ethanamine is Cc1ccn(-c2ccc(Br)cc2C(C)N)n1.
What is the InChIKey of 1-[5-bromo-2-(3-methylpyrazol-1-yl)phenyl]ethanamine?
The InChIKey is TZGPSRUHXYZQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3/c1-8-5-6-16(15-8)12-4-3-10(13)7-11(12)9(2)14/h3-7,9H,14H2,1-2H3.
What are the key properties of 1-[5-bromo-2-(3-methylpyrazol-1-yl)phenyl]ethanamine?
1-[5-bromo-2-(3-methylpyrazol-1-yl)phenyl]ethanamine has a molecular weight of 280.17 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-(3-methylpyrazol-1-yl)phenyl]ethanamine is sourced from PubChem (CID 82967919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).