(1R)-1-[3-bromo-4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanamine

C14H18BrN3O — CID 104893574

IUPAC(1R)-1-[3-bromo-4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanamine
SMILESCC(C)n1cc(Oc2ccc([C@@H](C)N)cc2Br)cn1
InChIInChI=1S/C14H18BrN3O/c1-9(2)18-8-12(7-17-18)19-14-5-4-11(10(3)16)6-13(14)15/h4-10H,16H2,1-3H3/t10-/m1/s1
InChIKeyFEFOXNSRNWWYIJ-SNVBAGLBSA-N
MW324.22 g/mol
LogP4.04
Rot. Bonds4

About (1R)-1-[3-bromo-4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanamine

(1R)-1-[3-bromo-4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanamine (PubChem CID 104893574) has the molecular formula C14H18BrN3O and a molecular weight of 324.22 g/mol. Its IUPAC name is (1R)-1-[3-bromo-4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[3-bromo-4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanamine
PubChem CID104893574
Molecular FormulaC14H18BrN3O
Molecular Weight324.22 g/mol
Exact Mass323.06
IUPAC Name(1R)-1-[3-bromo-4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanamine
SMILESCC(C)n1cc(Oc2ccc([C@@H](C)N)cc2Br)cn1
InChIInChI=1S/C14H18BrN3O/c1-9(2)18-8-12(7-17-18)19-14-5-4-11(10(3)16)6-13(14)15/h4-10H,16H2,1-3H3/t10-/m1/s1
InChIKeyFEFOXNSRNWWYIJ-SNVBAGLBSA-N
XLogP4.04
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-[3-bromo-4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanol
CID 104893650
[3-bromo-4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]methanamine
CID 116800206
(1S)-1-(3-bromo-4-pyridin-3-yloxyphenyl)ethanamine
CID 55185347
4-bromo-2-(1-propan-2-ylpyrazol-4-yl)oxyaniline
CID 116800549
(1S)-1-[3-bromo-4-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine
CID 78938373
5-bromo-2-(1-propan-2-ylpyrazol-4-yl)oxybenzenecarbothioamide
CID 114892301
(1R)-1-[3-bromo-4-(3,5-dichlorophenoxy)phenyl]ethanamine
CID 78944452
(1S)-1-[3-bromo-4-(2-bromo-4-methoxyphenoxy)phenyl]ethanamine
CID 104707913
5-bromo-2-(1-propan-2-ylpyrazol-4-yl)oxybenzonitrile
CID 114891103
(1R)-1-[3-bromo-4-(3-methoxyphenoxy)phenyl]ethanamine
CID 78937846
(1S)-1-[3-bromo-4-(4-ethoxyphenoxy)phenyl]ethanamine
CID 78937841
[4-[4-[(1R)-1-aminoethyl]-2-bromophenoxy]phenyl]methanol
CID 78938273

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-bromo-4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanamine?
The IUPAC name of (1R)-1-[3-bromo-4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanamine (CID 104893574) is (1R)-1-[3-bromo-4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanamine.
What is the SMILES notation for (1R)-1-[3-bromo-4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanamine?
The canonical SMILES for (1R)-1-[3-bromo-4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanamine is CC(C)n1cc(Oc2ccc([C@@H](C)N)cc2Br)cn1.
What is the InChIKey of (1R)-1-[3-bromo-4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanamine?
The InChIKey is FEFOXNSRNWWYIJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H18BrN3O/c1-9(2)18-8-12(7-17-18)19-14-5-4-11(10(3)16)6-13(14)15/h4-10H,16H2,1-3H3/t10-/m1/s1.
What are the key properties of (1R)-1-[3-bromo-4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanamine?
(1R)-1-[3-bromo-4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanamine has a molecular weight of 324.22 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-bromo-4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanamine is sourced from PubChem (CID 104893574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).