1-ethoxy-N-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpropan-2-amine

C16H23N3O — CID 116773579

IUPAC1-ethoxy-N-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpropan-2-amine
SMILESCCOC(c1ccccc1)C(Cc1cnn(C)c1)NC
InChIInChI=1S/C16H23N3O/c1-4-20-16(14-8-6-5-7-9-14)15(17-2)10-13-11-18-19(3)12-13/h5-9,11-12,15-17H,4,10H2,1-3H3
InChIKeyGHEPPJZIIQTURP-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.33
Rot. Bonds7

About 1-ethoxy-N-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpropan-2-amine

1-ethoxy-N-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpropan-2-amine (PubChem CID 116773579) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-ethoxy-N-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpropan-2-amine.

Molecular Properties

Compound Name1-ethoxy-N-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpropan-2-amine
PubChem CID116773579
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-ethoxy-N-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpropan-2-amine
SMILESCCOC(c1ccccc1)C(Cc1cnn(C)c1)NC
InChIInChI=1S/C16H23N3O/c1-4-20-16(14-8-6-5-7-9-14)15(17-2)10-13-11-18-19(3)12-13/h5-9,11-12,15-17H,4,10H2,1-3H3
InChIKeyGHEPPJZIIQTURP-UHFFFAOYSA-N
XLogP2.33
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 ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(1-methylpyrazol-4-yl)-3-propylhexan-2-amine
CID 115821260
1-cyclopropyl-1-methoxy-N-methyl-3-(1-methylpyrazol-4-yl)propan-2-amine
CID 116722205
1,1-diethoxy-3-(1-methylpyrazol-4-yl)-N-propylpropan-2-amine
CID 79495508
[3-ethoxy-1-(1-methylpyrazol-4-yl)hexan-2-yl]hydrazine
CID 105271422
[3-(1-ethylpyrazol-4-yl)-1-methoxy-1-phenylpropan-2-yl]hydrazine
CID 105279023
3-(1-methylpyrazol-4-yl)-2-phenylpropan-1-ol
CID 66057746
N-methyl-1-(1-methylpyrazol-4-yl)-4-phenylbutan-2-amine
CID 62126117
1-(1-methylpyrazol-4-yl)-3-phenylpentan-2-ol
CID 115780396
3-ethoxy-1-(1-methylpyrazol-4-yl)-N-propylpentan-2-amine
CID 116717153
N-benzyl-1-(1-methylpyrazol-4-yl)propan-2-amine
CID 122157851
3-ethoxy-1-(1-methylpyrazol-4-yl)butan-2-ol
CID 64541540
1-(2-ethylphenyl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 115822011

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-N-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpropan-2-amine?
The IUPAC name of 1-ethoxy-N-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpropan-2-amine (CID 116773579) is 1-ethoxy-N-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpropan-2-amine.
What is the SMILES notation for 1-ethoxy-N-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpropan-2-amine?
The canonical SMILES for 1-ethoxy-N-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpropan-2-amine is CCOC(c1ccccc1)C(Cc1cnn(C)c1)NC.
What is the InChIKey of 1-ethoxy-N-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpropan-2-amine?
The InChIKey is GHEPPJZIIQTURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-4-20-16(14-8-6-5-7-9-14)15(17-2)10-13-11-18-19(3)12-13/h5-9,11-12,15-17H,4,10H2,1-3H3.
What are the key properties of 1-ethoxy-N-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpropan-2-amine?
1-ethoxy-N-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpropan-2-amine has a molecular weight of 273.38 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-N-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpropan-2-amine is sourced from PubChem (CID 116773579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).