N-[2-(2-bromo-5-fluorophenyl)-1-(1-methylpyrazol-3-yl)ethyl]propan-1-amine

C15H19BrFN3 — CID 65197614

IUPACN-[2-(2-bromo-5-fluorophenyl)-1-(1-methylpyrazol-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(F)ccc1Br)c1ccn(C)n1
InChIInChI=1S/C15H19BrFN3/c1-3-7-18-15(14-6-8-20(2)19-14)10-11-9-12(17)4-5-13(11)16/h4-6,8-9,15,18H,3,7,10H2,1-2H3
InChIKeyKZORAKISGUPTQV-UHFFFAOYSA-N
MW340.24 g/mol
LogP3.61
Rot. Bonds6

About N-[2-(2-bromo-5-fluorophenyl)-1-(1-methylpyrazol-3-yl)ethyl]propan-1-amine

N-[2-(2-bromo-5-fluorophenyl)-1-(1-methylpyrazol-3-yl)ethyl]propan-1-amine (PubChem CID 65197614) has the molecular formula C15H19BrFN3 and a molecular weight of 340.24 g/mol. Its IUPAC name is N-[2-(2-bromo-5-fluorophenyl)-1-(1-methylpyrazol-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2-bromo-5-fluorophenyl)-1-(1-methylpyrazol-3-yl)ethyl]propan-1-amine
PubChem CID65197614
Molecular FormulaC15H19BrFN3
Molecular Weight340.24 g/mol
Exact Mass339.07
IUPAC NameN-[2-(2-bromo-5-fluorophenyl)-1-(1-methylpyrazol-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(F)ccc1Br)c1ccn(C)n1
InChIInChI=1S/C15H19BrFN3/c1-3-7-18-15(14-6-8-20(2)19-14)10-11-9-12(17)4-5-13(11)16/h4-6,8-9,15,18H,3,7,10H2,1-2H3
InChIKeyKZORAKISGUPTQV-UHFFFAOYSA-N
XLogP3.61
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.24
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-5-fluorophenyl)-N-ethyl-1-(1-methylpyrazol-3-yl)ethanamine
CID 65200283
N-[1-(2-bromo-5-fluorophenyl)-2-(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 105025657
N-[(2-bromo-4-fluorophenyl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 103135354
N-[1,2-bis(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 82876021
N-[2-(2-bromo-5-fluorophenyl)-1-(4-iodophenyl)ethyl]propan-1-amine
CID 115843853
2-(2-bromophenyl)-N-ethyl-1-(1-methylpyrazol-3-yl)ethanamine
CID 65200168
N-[2-(3-chloro-4-fluorophenyl)-1-(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 103040107
N-[2-(2-bromo-5-fluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethyl]propan-1-amine
CID 105136841
N-[(2-bromo-5-fluorophenyl)-(1-methylpyrazol-3-yl)methyl]ethanamine
CID 103134953
4-(2-bromo-5-fluorophenyl)-3-methyl-N-propylbutan-2-amine
CID 54891354
N-[2-(2-bromo-4-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethyl]propan-1-amine
CID 79707449
N-[2-(furan-2-yl)-1-(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 83174760

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromo-5-fluorophenyl)-1-(1-methylpyrazol-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(2-bromo-5-fluorophenyl)-1-(1-methylpyrazol-3-yl)ethyl]propan-1-amine (CID 65197614) is N-[2-(2-bromo-5-fluorophenyl)-1-(1-methylpyrazol-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2-bromo-5-fluorophenyl)-1-(1-methylpyrazol-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(2-bromo-5-fluorophenyl)-1-(1-methylpyrazol-3-yl)ethyl]propan-1-amine is CCCNC(Cc1cc(F)ccc1Br)c1ccn(C)n1.
What is the InChIKey of N-[2-(2-bromo-5-fluorophenyl)-1-(1-methylpyrazol-3-yl)ethyl]propan-1-amine?
The InChIKey is KZORAKISGUPTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrFN3/c1-3-7-18-15(14-6-8-20(2)19-14)10-11-9-12(17)4-5-13(11)16/h4-6,8-9,15,18H,3,7,10H2,1-2H3.
What are the key properties of N-[2-(2-bromo-5-fluorophenyl)-1-(1-methylpyrazol-3-yl)ethyl]propan-1-amine?
N-[2-(2-bromo-5-fluorophenyl)-1-(1-methylpyrazol-3-yl)ethyl]propan-1-amine has a molecular weight of 340.24 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromo-5-fluorophenyl)-1-(1-methylpyrazol-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 65197614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).