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

C13H16BrN3 — CID 114061991

IUPAC1-[5-bromo-2-(3-methylpyrazol-1-yl)phenyl]propan-2-amine
SMILESCc1ccn(-c2ccc(Br)cc2CC(C)N)n1
InChIInChI=1S/C13H16BrN3/c1-9(15)7-11-8-12(14)3-4-13(11)17-6-5-10(2)16-17/h3-6,8-9H,7,15H2,1-2H3
InChIKeyFXLZKHXPEORCSM-UHFFFAOYSA-N
MW294.20 g/mol
LogP2.83
Rot. Bonds3

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

1-[5-bromo-2-(3-methylpyrazol-1-yl)phenyl]propan-2-amine (PubChem CID 114061991) has the molecular formula C13H16BrN3 and a molecular weight of 294.20 g/mol. Its IUPAC name is 1-[5-bromo-2-(3-methylpyrazol-1-yl)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[5-bromo-2-(3-methylpyrazol-1-yl)phenyl]propan-2-amine
PubChem CID114061991
Molecular FormulaC13H16BrN3
Molecular Weight294.20 g/mol
Exact Mass293.05
IUPAC Name1-[5-bromo-2-(3-methylpyrazol-1-yl)phenyl]propan-2-amine
SMILESCc1ccn(-c2ccc(Br)cc2CC(C)N)n1
InChIInChI=1S/C13H16BrN3/c1-9(15)7-11-8-12(14)3-4-13(11)17-6-5-10(2)16-17/h3-6,8-9H,7,15H2,1-2H3
InChIKeyFXLZKHXPEORCSM-UHFFFAOYSA-N
XLogP2.83
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.20
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-bromo-2-(3-methylpyrazol-1-yl)phenyl]ethanamine
CID 82967919
5-bromo-2-(3-methylpyrazol-1-yl)aniline
CID 62492609
1-[5-bromo-2-(3-methylpyrazol-1-yl)phenyl]-N-ethylethanamine
CID 82968056
1-(2,5-dibromophenyl)propan-2-amine
CID 84739331
5-bromo-2-(3-methylpyrazol-1-yl)benzoic acid
CID 114896062
1-[5-bromo-2-(3-methylpyrazol-1-yl)phenyl]ethanone
CID 82966911
1-(5-bromo-2-morpholin-4-ylphenyl)propan-2-amine;hydrochloride
CID 170894305
N-[[4-bromo-2-(3-methylpyrazol-1-yl)phenyl]methyl]cyclopropanamine
CID 62487448
2-(2-aminopropyl)-5-bromo-N-ethyl-N-methylaniline
CID 63786948
1-[3-fluoro-4-(3-methylpyrazol-1-yl)phenyl]ethanamine
CID 62488667
1-[5-bromo-2-(3-ethylpyrrolidin-1-yl)phenyl]propan-2-amine
CID 114061978
1-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-5-bromophenyl]propan-2-amine
CID 114061955

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-(3-methylpyrazol-1-yl)phenyl]propan-2-amine?
The IUPAC name of 1-[5-bromo-2-(3-methylpyrazol-1-yl)phenyl]propan-2-amine (CID 114061991) is 1-[5-bromo-2-(3-methylpyrazol-1-yl)phenyl]propan-2-amine.
What is the SMILES notation for 1-[5-bromo-2-(3-methylpyrazol-1-yl)phenyl]propan-2-amine?
The canonical SMILES for 1-[5-bromo-2-(3-methylpyrazol-1-yl)phenyl]propan-2-amine is Cc1ccn(-c2ccc(Br)cc2CC(C)N)n1.
What is the InChIKey of 1-[5-bromo-2-(3-methylpyrazol-1-yl)phenyl]propan-2-amine?
The InChIKey is FXLZKHXPEORCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3/c1-9(15)7-11-8-12(14)3-4-13(11)17-6-5-10(2)16-17/h3-6,8-9H,7,15H2,1-2H3.
What are the key properties of 1-[5-bromo-2-(3-methylpyrazol-1-yl)phenyl]propan-2-amine?
1-[5-bromo-2-(3-methylpyrazol-1-yl)phenyl]propan-2-amine has a molecular weight of 294.20 g/mol, XLogP of 2.83, 3 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]propan-2-amine is sourced from PubChem (CID 114061991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).