1-[3-bromo-4-(2-pyrazol-1-ylethoxy)phenyl]propan-2-amine

C14H18BrN3O — CID 63051668

IUPAC1-[3-bromo-4-(2-pyrazol-1-ylethoxy)phenyl]propan-2-amine
SMILESCC(N)Cc1ccc(OCCn2cccn2)c(Br)c1
InChIInChI=1S/C14H18BrN3O/c1-11(16)9-12-3-4-14(13(15)10-12)19-8-7-18-6-2-5-17-18/h2-6,10-11H,7-9,16H2,1H3
InChIKeyARTJJAAJXWFDLI-UHFFFAOYSA-N
MW324.22 g/mol
LogP2.61
Rot. Bonds6

About 1-[3-bromo-4-(2-pyrazol-1-ylethoxy)phenyl]propan-2-amine

1-[3-bromo-4-(2-pyrazol-1-ylethoxy)phenyl]propan-2-amine (PubChem CID 63051668) has the molecular formula C14H18BrN3O and a molecular weight of 324.22 g/mol. Its IUPAC name is 1-[3-bromo-4-(2-pyrazol-1-ylethoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3-bromo-4-(2-pyrazol-1-ylethoxy)phenyl]propan-2-amine
PubChem CID63051668
Molecular FormulaC14H18BrN3O
Molecular Weight324.22 g/mol
Exact Mass323.06
IUPAC Name1-[3-bromo-4-(2-pyrazol-1-ylethoxy)phenyl]propan-2-amine
SMILESCC(N)Cc1ccc(OCCn2cccn2)c(Br)c1
InChIInChI=1S/C14H18BrN3O/c1-11(16)9-12-3-4-14(13(15)10-12)19-8-7-18-6-2-5-17-18/h2-6,10-11H,7-9,16H2,1H3
InChIKeyARTJJAAJXWFDLI-UHFFFAOYSA-N
XLogP2.61
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-bromo-4-(2-fluoroethoxy)phenyl]propan-2-amine
CID 80696097
1-[3-bromo-4-(4-methoxybutoxy)phenyl]propan-2-amine
CID 104648836
1-[3,5-difluoro-4-(2-pyrazol-1-ylethoxy)phenyl]propan-2-amine
CID 79888311
1-[3-bromo-4-[(1-ethylpyrazol-4-yl)methoxy]phenyl]propan-2-amine
CID 63050307
[3-ethoxy-4-(2-pyrazol-1-ylethoxy)phenyl]methanamine
CID 61491518
4-[4-(2-pyrazol-1-ylethoxy)phenyl]butan-2-amine
CID 61491560
(1S)-1-[4-methyl-2-(2-pyrazol-1-ylethoxy)phenyl]ethanamine
CID 63650094
(1S)-1-[4-fluoro-2-(2-pyrazol-1-ylethoxy)phenyl]ethanamine
CID 55189579
1-[3-bromo-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]propan-2-amine
CID 63050480
1-[3-bromo-4-(cyclopropylmethoxy)phenyl]propan-2-amine
CID 63052009
[4-(2-pyrazol-1-ylethoxy)-3-(trifluoromethyl)phenyl]methanol
CID 63320707
N-[[5-bromo-2-(2-pyrazol-1-ylethoxy)phenyl]methyl]-2-methoxyethanamine
CID 63058034

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-4-(2-pyrazol-1-ylethoxy)phenyl]propan-2-amine?
The IUPAC name of 1-[3-bromo-4-(2-pyrazol-1-ylethoxy)phenyl]propan-2-amine (CID 63051668) is 1-[3-bromo-4-(2-pyrazol-1-ylethoxy)phenyl]propan-2-amine.
What is the SMILES notation for 1-[3-bromo-4-(2-pyrazol-1-ylethoxy)phenyl]propan-2-amine?
The canonical SMILES for 1-[3-bromo-4-(2-pyrazol-1-ylethoxy)phenyl]propan-2-amine is CC(N)Cc1ccc(OCCn2cccn2)c(Br)c1.
What is the InChIKey of 1-[3-bromo-4-(2-pyrazol-1-ylethoxy)phenyl]propan-2-amine?
The InChIKey is ARTJJAAJXWFDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O/c1-11(16)9-12-3-4-14(13(15)10-12)19-8-7-18-6-2-5-17-18/h2-6,10-11H,7-9,16H2,1H3.
What are the key properties of 1-[3-bromo-4-(2-pyrazol-1-ylethoxy)phenyl]propan-2-amine?
1-[3-bromo-4-(2-pyrazol-1-ylethoxy)phenyl]propan-2-amine has a molecular weight of 324.22 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-4-(2-pyrazol-1-ylethoxy)phenyl]propan-2-amine is sourced from PubChem (CID 63051668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).