(1S)-1-[2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]ethanamine

C14H19N3O — CID 78936450

IUPAC(1S)-1-[2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]ethanamine
SMILESCCn1cc(COc2ccccc2[C@H](C)N)cn1
InChIInChI=1S/C14H19N3O/c1-3-17-9-12(8-16-17)10-18-14-7-5-4-6-13(14)11(2)15/h4-9,11H,3,10,15H2,1-2H3/t11-/m0/s1
InChIKeyIAJPOUZMVVIUMC-NSHDSACASA-N
MW245.33 g/mol
LogP2.50
Rot. Bonds5

About (1S)-1-[2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]ethanamine

(1S)-1-[2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]ethanamine (PubChem CID 78936450) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is (1S)-1-[2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]ethanamine
PubChem CID78936450
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name(1S)-1-[2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]ethanamine
SMILESCCn1cc(COc2ccccc2[C@H](C)N)cn1
InChIInChI=1S/C14H19N3O/c1-3-17-9-12(8-16-17)10-18-14-7-5-4-6-13(14)11(2)15/h4-9,11H,3,10,15H2,1-2H3/t11-/m0/s1
InChIKeyIAJPOUZMVVIUMC-NSHDSACASA-N
XLogP2.50
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]-N-methylethanamine
CID 62125623
(1S)-1-[2-[(1-ethylpyrazol-4-yl)methoxy]-5-methylphenyl]ethanamine
CID 78936430
1-[2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]-N-methylpropan-1-amine
CID 62128091
1-ethyl-4-[(2-fluorophenoxy)methyl]pyrazole
CID 64766010
2-[2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]ethanamine
CID 62126855
[2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]-trifluoroboranuide
CID 63677026
(2-ethoxyphenyl)-(1-ethylpyrazol-4-yl)methanamine
CID 113330367
1-[2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]-N-methylmethanamine
CID 62126496
(1S)-1-(2-phenylmethoxyphenyl)ethanamine;hydrochloride
CID 71758033
(1S)-1-[2-[(1-ethylpyrazol-4-yl)methoxy]-5-methylphenyl]ethanol
CID 63366486
(1R)-1-[5-bromo-2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]ethanol
CID 63365906
1-[3-bromo-4-[(1-ethylpyrazol-4-yl)methoxy]phenyl]propan-2-amine
CID 63050307

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]ethanamine?
The IUPAC name of (1S)-1-[2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]ethanamine (CID 78936450) is (1S)-1-[2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]ethanamine?
The canonical SMILES for (1S)-1-[2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]ethanamine is CCn1cc(COc2ccccc2[C@H](C)N)cn1.
What is the InChIKey of (1S)-1-[2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]ethanamine?
The InChIKey is IAJPOUZMVVIUMC-NSHDSACASA-N. The full InChI is InChI=1S/C14H19N3O/c1-3-17-9-12(8-16-17)10-18-14-7-5-4-6-13(14)11(2)15/h4-9,11H,3,10,15H2,1-2H3/t11-/m0/s1.
What are the key properties of (1S)-1-[2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]ethanamine?
(1S)-1-[2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]ethanamine has a molecular weight of 245.33 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 78936450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).