(1S)-1-[2-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]ethanamine

C12H15N3O — CID 81341859

IUPAC(1S)-1-[2-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]ethanamine
SMILESCc1cc(Oc2ccccc2[C@H](C)N)n[nH]1
InChIInChI=1S/C12H15N3O/c1-8-7-12(15-14-8)16-11-6-4-3-5-10(11)9(2)13/h3-7,9H,13H2,1-2H3,(H,14,15)/t9-/m0/s1
InChIKeyLZLJLSLQQNGERG-VIFPVBQESA-N
MW217.27 g/mol
LogP2.53
Rot. Bonds3

About (1S)-1-[2-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]ethanamine

(1S)-1-[2-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]ethanamine (PubChem CID 81341859) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is (1S)-1-[2-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[2-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]ethanamine
PubChem CID81341859
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name(1S)-1-[2-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]ethanamine
SMILESCc1cc(Oc2ccccc2[C@H](C)N)n[nH]1
InChIInChI=1S/C12H15N3O/c1-8-7-12(15-14-8)16-11-6-4-3-5-10(11)9(2)13/h3-7,9H,13H2,1-2H3,(H,14,15)/t9-/m0/s1
InChIKeyLZLJLSLQQNGERG-VIFPVBQESA-N
XLogP2.53
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.53
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
1-[2-(3,5-dimethoxyphenoxy)phenyl]ethanamine
CID 43589925
6-methyl-3-(2-propan-2-ylphenoxy)-1H-pyridazin-4-one
CID 23014019
(1R)-1-(2-trimethylsilyloxyphenyl)ethanamine
CID 167729285
1-[2-(2,5-dimethylpyrazol-3-yl)oxyphenyl]ethanamine
CID 81346685
1-[2-(2-fluoro-5-methylphenoxy)phenyl]ethanamine
CID 64855797
(1S)-1-[2-(3-fluoro-4-methylphenoxy)phenyl]ethanamine
CID 107169557
(1R)-1-[2-[(5-chloro-3-pyridinyl)oxy]phenyl]ethanamine
CID 78996800
4-methoxy-2-[(5-methyl-1H-pyrazol-3-yl)oxy]aniline
CID 81342391
1-[2-(4-chloro-3-methylphenoxy)phenyl]ethanamine
CID 43094702
1-[2-(2,5-difluorophenoxy)phenyl]ethanamine
CID 55168326
1-[2-(4-chlorophenoxy)phenyl]ethanamine
CID 43189173

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]ethanamine?
The IUPAC name of (1S)-1-[2-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]ethanamine (CID 81341859) is (1S)-1-[2-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[2-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]ethanamine?
The canonical SMILES for (1S)-1-[2-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]ethanamine is Cc1cc(Oc2ccccc2[C@H](C)N)n[nH]1.
What is the InChIKey of (1S)-1-[2-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]ethanamine?
The InChIKey is LZLJLSLQQNGERG-VIFPVBQESA-N. The full InChI is InChI=1S/C12H15N3O/c1-8-7-12(15-14-8)16-11-6-4-3-5-10(11)9(2)13/h3-7,9H,13H2,1-2H3,(H,14,15)/t9-/m0/s1.
What are the key properties of (1S)-1-[2-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]ethanamine?
(1S)-1-[2-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]ethanamine has a molecular weight of 217.27 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]ethanamine is sourced from PubChem (CID 81341859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).