2-(2,5-dimethylpyrazol-3-yl)-N-methyl-1-(3-propoxyphenyl)ethanamine

C17H25N3O — CID 104996199

IUPAC2-(2,5-dimethylpyrazol-3-yl)-N-methyl-1-(3-propoxyphenyl)ethanamine
SMILESCCCOc1cccc(C(Cc2cc(C)nn2C)NC)c1
InChIInChI=1S/C17H25N3O/c1-5-9-21-16-8-6-7-14(11-16)17(18-3)12-15-10-13(2)19-20(15)4/h6-8,10-11,17-18H,5,9,12H2,1-4H3
InChIKeyAQHJTKYHVNEEFF-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.02
Rot. Bonds7

About 2-(2,5-dimethylpyrazol-3-yl)-N-methyl-1-(3-propoxyphenyl)ethanamine

2-(2,5-dimethylpyrazol-3-yl)-N-methyl-1-(3-propoxyphenyl)ethanamine (PubChem CID 104996199) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-(2,5-dimethylpyrazol-3-yl)-N-methyl-1-(3-propoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(2,5-dimethylpyrazol-3-yl)-N-methyl-1-(3-propoxyphenyl)ethanamine
PubChem CID104996199
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name2-(2,5-dimethylpyrazol-3-yl)-N-methyl-1-(3-propoxyphenyl)ethanamine
SMILESCCCOc1cccc(C(Cc2cc(C)nn2C)NC)c1
InChIInChI=1S/C17H25N3O/c1-5-9-21-16-8-6-7-14(11-16)17(18-3)12-15-10-13(2)19-20(15)4/h6-8,10-11,17-18H,5,9,12H2,1-4H3
InChIKeyAQHJTKYHVNEEFF-UHFFFAOYSA-N
XLogP3.02
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(3-propoxyphenyl)propan-1-amine
CID 114979549
N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(3-propoxyphenyl)ethanamine
CID 105019303
2-(2,5-dimethylpyrazol-3-yl)-1-(2,6-dimethyl-4-pyridinyl)-N-methylethanamine
CID 107503617
1-(3-bromo-4-methylphenyl)-2-(2,5-dimethylpyrazol-3-yl)-N-methylethanamine
CID 104996322
2-(5-ethylthiophen-2-yl)-N-methyl-1-(3-propoxyphenyl)ethanamine
CID 115842505
2-(2,5-dimethylpyrazol-3-yl)-N-methyl-1-quinoxalin-5-ylethanamine
CID 105158647
N-methyl-1-(3-propoxyphenyl)ethanamine
CID 43279892
(1R)-1-[3-[(2,5-dimethylpyrazol-3-yl)methoxy]phenyl]ethanol
CID 79025674
1-(3-hexoxyphenyl)-N-methylpropan-1-amine
CID 114079145
2-(2,5-dimethylpyrazol-3-yl)-1-(3-ethylthiophen-2-yl)-N-methylethanamine
CID 104996146
1-(3-chloro-2-methylphenyl)-2-(2,5-dimethylpyrazol-3-yl)-N-methylethanamine
CID 107102582
N-methyl-3-methylidene-1-(3-propoxyphenyl)pentan-1-amine
CID 105005926

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)-N-methyl-1-(3-propoxyphenyl)ethanamine?
The IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)-N-methyl-1-(3-propoxyphenyl)ethanamine (CID 104996199) is 2-(2,5-dimethylpyrazol-3-yl)-N-methyl-1-(3-propoxyphenyl)ethanamine.
What is the SMILES notation for 2-(2,5-dimethylpyrazol-3-yl)-N-methyl-1-(3-propoxyphenyl)ethanamine?
The canonical SMILES for 2-(2,5-dimethylpyrazol-3-yl)-N-methyl-1-(3-propoxyphenyl)ethanamine is CCCOc1cccc(C(Cc2cc(C)nn2C)NC)c1.
What is the InChIKey of 2-(2,5-dimethylpyrazol-3-yl)-N-methyl-1-(3-propoxyphenyl)ethanamine?
The InChIKey is AQHJTKYHVNEEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-5-9-21-16-8-6-7-14(11-16)17(18-3)12-15-10-13(2)19-20(15)4/h6-8,10-11,17-18H,5,9,12H2,1-4H3.
What are the key properties of 2-(2,5-dimethylpyrazol-3-yl)-N-methyl-1-(3-propoxyphenyl)ethanamine?
2-(2,5-dimethylpyrazol-3-yl)-N-methyl-1-(3-propoxyphenyl)ethanamine has a molecular weight of 287.41 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpyrazol-3-yl)-N-methyl-1-(3-propoxyphenyl)ethanamine is sourced from PubChem (CID 104996199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).