1-[2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]-N-methylpropan-1-amine

C16H23N3O — CID 62128091

IUPAC1-[2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]-N-methylpropan-1-amine
SMILESCCC(NC)c1ccccc1OCc1cnn(CC)c1
InChIInChI=1S/C16H23N3O/c1-4-15(17-3)14-8-6-7-9-16(14)20-12-13-10-18-19(5-2)11-13/h6-11,15,17H,4-5,12H2,1-3H3
InChIKeyRVBFLQDGQCBVNK-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.15
Rot. Bonds7

About 1-[2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]-N-methylpropan-1-amine

1-[2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]-N-methylpropan-1-amine (PubChem CID 62128091) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-[2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-[2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]-N-methylpropan-1-amine
PubChem CID62128091
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-[2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]-N-methylpropan-1-amine
SMILESCCC(NC)c1ccccc1OCc1cnn(CC)c1
InChIInChI=1S/C16H23N3O/c1-4-15(17-3)14-8-6-7-9-16(14)20-12-13-10-18-19(5-2)11-13/h6-11,15,17H,4-5,12H2,1-3H3
InChIKeyRVBFLQDGQCBVNK-UHFFFAOYSA-N
XLogP3.15
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.15
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]phenyl]ethanamine
CID 78936450
N-ethyl-1-[2-[(1-methylpyrazol-4-yl)methoxy]phenyl]propan-1-amine
CID 60883036
1-[2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]-N-methylmethanamine
CID 62126496
1-ethyl-4-[(2-fluorophenoxy)methyl]pyrazole
CID 64766010
1-[2-[(3,5-dimethylphenyl)methoxy]phenyl]-N-methylpropan-1-amine
CID 63500622
[2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]-trifluoroboranuide
CID 63677026
3-[(1-ethylpyrazol-4-yl)methoxy]naphthalen-2-ol
CID 62125688
2-[2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]ethanamine
CID 62126855
(1S)-1-[2-[(1-ethylpyrazol-4-yl)methoxy]-5-methylphenyl]ethanamine
CID 78936430
(1S)-1-[2-[(1-ethylpyrazol-4-yl)methoxy]-5-methylphenyl]ethanol
CID 63366486
(1R)-1-[2-[(1-ethylpyrazol-4-yl)methoxy]-4-methylphenyl]ethanol
CID 55246681

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]-N-methylpropan-1-amine?
The IUPAC name of 1-[2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]-N-methylpropan-1-amine (CID 62128091) is 1-[2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]-N-methylpropan-1-amine.
What is the SMILES notation for 1-[2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]-N-methylpropan-1-amine?
The canonical SMILES for 1-[2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]-N-methylpropan-1-amine is CCC(NC)c1ccccc1OCc1cnn(CC)c1.
What is the InChIKey of 1-[2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]-N-methylpropan-1-amine?
The InChIKey is RVBFLQDGQCBVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-4-15(17-3)14-8-6-7-9-16(14)20-12-13-10-18-19(5-2)11-13/h6-11,15,17H,4-5,12H2,1-3H3.
What are the key properties of 1-[2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]-N-methylpropan-1-amine?
1-[2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]-N-methylpropan-1-amine has a molecular weight of 273.38 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]-N-methylpropan-1-amine is sourced from PubChem (CID 62128091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).