1-[5-methyl-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]ethanamine

C14H19N3O — CID 60890187

IUPAC1-[5-methyl-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]ethanamine
SMILESCc1ccc(OCc2cnn(C)c2)c(C(C)N)c1
InChIInChI=1S/C14H19N3O/c1-10-4-5-14(13(6-10)11(2)15)18-9-12-7-16-17(3)8-12/h4-8,11H,9,15H2,1-3H3
InChIKeyWYVTWACXAJXEEU-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.33
Rot. Bonds4

About 1-[5-methyl-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]ethanamine

1-[5-methyl-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]ethanamine (PubChem CID 60890187) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-[5-methyl-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name1-[5-methyl-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]ethanamine
PubChem CID60890187
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-[5-methyl-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]ethanamine
SMILESCc1ccc(OCc2cnn(C)c2)c(C(C)N)c1
InChIInChI=1S/C14H19N3O/c1-10-4-5-14(13(6-10)11(2)15)18-9-12-7-16-17(3)8-12/h4-8,11H,9,15H2,1-3H3
InChIKeyWYVTWACXAJXEEU-UHFFFAOYSA-N
XLogP2.33
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-[5-chloro-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]ethanamine
CID 78932663
(1S)-1-[2-[(1-ethylpyrazol-4-yl)methoxy]-5-methylphenyl]ethanamine
CID 78936430
1-[5-methyl-2-[(4-methylphenyl)methoxy]phenyl]ethanamine
CID 43505054
(1S)-1-[2-[(3,5-dimethylphenyl)methoxy]-5-methylphenyl]ethanamine
CID 78936431
(1S)-1-[2-[(4-ethylphenyl)methoxy]-5-methylphenyl]ethanamine
CID 78936783
1-[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-5-methylphenyl]ethanamine
CID 60887486
(1S)-1-[5-methyl-2-(pyrimidin-2-ylmethoxy)phenyl]ethanamine
CID 78936782
(1S)-1-[2-[(1-ethylpyrazol-4-yl)methoxy]-5-methylphenyl]ethanol
CID 63366486
(1S)-1-[2-[(3-chloro-4-fluorophenyl)methoxy]-5-methylphenyl]ethanamine
CID 103037859
1-[2-[(3-fluorophenyl)methoxy]-5-methylphenyl]ethanamine
CID 43504983
(1R)-1-[5-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanamine
CID 63367368
1-methyl-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrazole
CID 78959342

Frequently Asked Questions

What is the IUPAC name of 1-[5-methyl-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]ethanamine?
The IUPAC name of 1-[5-methyl-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]ethanamine (CID 60890187) is 1-[5-methyl-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]ethanamine.
What is the SMILES notation for 1-[5-methyl-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]ethanamine?
The canonical SMILES for 1-[5-methyl-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]ethanamine is Cc1ccc(OCc2cnn(C)c2)c(C(C)N)c1.
What is the InChIKey of 1-[5-methyl-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]ethanamine?
The InChIKey is WYVTWACXAJXEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-10-4-5-14(13(6-10)11(2)15)18-9-12-7-16-17(3)8-12/h4-8,11H,9,15H2,1-3H3.
What are the key properties of 1-[5-methyl-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]ethanamine?
1-[5-methyl-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]ethanamine has a molecular weight of 245.33 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methyl-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 60890187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).