(1S)-1-[4-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine

C15H21N3O — CID 64771249

IUPAC(1S)-1-[4-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine
SMILESCC(C)n1ccc(COc2ccc([C@H](C)N)cc2)n1
InChIInChI=1S/C15H21N3O/c1-11(2)18-9-8-14(17-18)10-19-15-6-4-13(5-7-15)12(3)16/h4-9,11-12H,10,16H2,1-3H3/t12-/m0/s1
InChIKeySYSKDZSAYADZJM-LBPRGKRZSA-N
MW259.35 g/mol
LogP3.06
Rot. Bonds5

About (1S)-1-[4-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine

(1S)-1-[4-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine (PubChem CID 64771249) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is (1S)-1-[4-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[4-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine
PubChem CID64771249
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name(1S)-1-[4-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine
SMILESCC(C)n1ccc(COc2ccc([C@H](C)N)cc2)n1
InChIInChI=1S/C15H21N3O/c1-11(2)18-9-8-14(17-18)10-19-15-6-4-13(5-7-15)12(3)16/h4-9,11-12H,10,16H2,1-3H3/t12-/m0/s1
InChIKeySYSKDZSAYADZJM-LBPRGKRZSA-N
XLogP3.06
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine
CID 64772319
(1R)-1-[4-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]propan-1-ol
CID 64773103
4-[4-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]butan-2-amine
CID 64772318
3-[[4-(chloromethyl)phenoxy]methyl]-1-propan-2-ylpyrazole
CID 64772205
potassium trifluoro-[4-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]boranuide
CID 64772926
1-[4-(pyrazin-2-ylmethoxy)phenyl]ethanamine
CID 117052240
1-[4-[(1-butan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanol
CID 64783982
(1R)-1-[4-(pyridin-2-ylmethoxy)phenyl]ethanamine
CID 30121102
(1S)-1-[4-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanamine
CID 66153632
(1S)-1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanamine
CID 78932968
1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanamine
CID 60880506
(1R)-1-[4-bromo-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine
CID 102946545

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine?
The IUPAC name of (1S)-1-[4-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine (CID 64771249) is (1S)-1-[4-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[4-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine?
The canonical SMILES for (1S)-1-[4-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine is CC(C)n1ccc(COc2ccc([C@H](C)N)cc2)n1.
What is the InChIKey of (1S)-1-[4-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine?
The InChIKey is SYSKDZSAYADZJM-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H21N3O/c1-11(2)18-9-8-14(17-18)10-19-15-6-4-13(5-7-15)12(3)16/h4-9,11-12H,10,16H2,1-3H3/t12-/m0/s1.
What are the key properties of (1S)-1-[4-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine?
(1S)-1-[4-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine has a molecular weight of 259.35 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 64771249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).