N-[1-[3-bromo-4-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]ethyl]propan-1-amine

C15H20BrN3O — CID 81341285

IUPACN-[1-[3-bromo-4-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(Oc2cc(C)[nH]n2)c(Br)c1
InChIInChI=1S/C15H20BrN3O/c1-4-7-17-11(3)12-5-6-14(13(16)9-12)20-15-8-10(2)18-19-15/h5-6,8-9,11,17H,4,7H2,1-3H3,(H,18,19)
InChIKeyLPZRUBVHAJGUCS-UHFFFAOYSA-N
MW338.25 g/mol
LogP4.33
Rot. Bonds6

About N-[1-[3-bromo-4-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]ethyl]propan-1-amine

N-[1-[3-bromo-4-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]ethyl]propan-1-amine (PubChem CID 81341285) has the molecular formula C15H20BrN3O and a molecular weight of 338.25 g/mol. Its IUPAC name is N-[1-[3-bromo-4-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[3-bromo-4-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]ethyl]propan-1-amine
PubChem CID81341285
Molecular FormulaC15H20BrN3O
Molecular Weight338.25 g/mol
Exact Mass337.08
IUPAC NameN-[1-[3-bromo-4-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(Oc2cc(C)[nH]n2)c(Br)c1
InChIInChI=1S/C15H20BrN3O/c1-4-7-17-11(3)12-5-6-14(13(16)9-12)20-15-8-10(2)18-19-15/h5-6,8-9,11,17H,4,7H2,1-3H3,(H,18,19)
InChIKeyLPZRUBVHAJGUCS-UHFFFAOYSA-N
XLogP4.33
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[2-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]ethyl]propan-1-amine
CID 81341286
N-[1-[3-bromo-4-(4-chlorophenoxy)phenyl]ethyl]propan-1-amine
CID 63533629
N-[1-[3-bromo-4-(2-ethoxyethoxy)phenyl]ethyl]propan-1-amine
CID 55131505
N-[1-[3-bromo-4-[(5-chloro-3-pyridinyl)oxy]phenyl]ethyl]propan-1-amine
CID 64600607
1-[3-bromo-4-(5-bromo-2-methylphenoxy)phenyl]-N-ethylethanamine
CID 107284790
N-[1-(3-bromo-4-cyclohexyloxyphenyl)ethyl]propan-1-amine
CID 63533305
N-[1-(3-bromo-4-methylsulfanylphenyl)ethyl]propan-1-amine
CID 62912795
N-[1-(3-bromo-4-propylsulfanylphenyl)ethyl]propan-1-amine
CID 63532594
(1R)-1-(3-bromo-4-methoxyphenyl)-N-ethylethanamine
CID 164536532
N-[1-(3,4-dipropoxyphenyl)ethyl]propan-1-amine
CID 43108101
N-[1-[3-(5-bromo-2-methylphenoxy)phenyl]ethyl]propan-1-amine
CID 107284781
N-[1-[3-bromo-4-(3-methylbutylsulfanyl)phenyl]ethyl]propan-1-amine
CID 107750893

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-bromo-4-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[3-bromo-4-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]ethyl]propan-1-amine (CID 81341285) is N-[1-[3-bromo-4-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[3-bromo-4-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[3-bromo-4-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]ethyl]propan-1-amine is CCCNC(C)c1ccc(Oc2cc(C)[nH]n2)c(Br)c1.
What is the InChIKey of N-[1-[3-bromo-4-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]ethyl]propan-1-amine?
The InChIKey is LPZRUBVHAJGUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O/c1-4-7-17-11(3)12-5-6-14(13(16)9-12)20-15-8-10(2)18-19-15/h5-6,8-9,11,17H,4,7H2,1-3H3,(H,18,19).
What are the key properties of N-[1-[3-bromo-4-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]ethyl]propan-1-amine?
N-[1-[3-bromo-4-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]ethyl]propan-1-amine has a molecular weight of 338.25 g/mol, XLogP of 4.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-bromo-4-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 81341285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).