2-(3,5-dimethylpyrazol-1-yl)-1-(4-propoxyphenyl)ethanamine

C16H23N3O — CID 16783595

IUPAC2-(3,5-dimethylpyrazol-1-yl)-1-(4-propoxyphenyl)ethanamine
SMILESCCCOc1ccc(C(N)Cn2nc(C)cc2C)cc1
InChIInChI=1S/C16H23N3O/c1-4-9-20-15-7-5-14(6-8-15)16(17)11-19-13(3)10-12(2)18-19/h5-8,10,16H,4,9,11,17H2,1-3H3
InChIKeyJKXGSFLFYAXNLH-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.99
Rot. Bonds6

About 2-(3,5-dimethylpyrazol-1-yl)-1-(4-propoxyphenyl)ethanamine

2-(3,5-dimethylpyrazol-1-yl)-1-(4-propoxyphenyl)ethanamine (PubChem CID 16783595) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-1-(4-propoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-1-(4-propoxyphenyl)ethanamine
PubChem CID16783595
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-1-(4-propoxyphenyl)ethanamine
SMILESCCCOc1ccc(C(N)Cn2nc(C)cc2C)cc1
InChIInChI=1S/C16H23N3O/c1-4-9-20-15-7-5-14(6-8-15)16(17)11-19-13(3)10-12(2)18-19/h5-8,10,16H,4,9,11,17H2,1-3H3
InChIKeyJKXGSFLFYAXNLH-UHFFFAOYSA-N
XLogP2.99
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-difluorophenyl)-2-(3,5-dimethylpyrazol-1-yl)ethanamine
CID 16792692
1-(4-propoxyphenyl)propan-1-amine
CID 16783118
1-(4-propoxyphenyl)pentan-1-amine
CID 79016312
(1R)-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 66516534
2-(azepan-1-yl)-1-(4-propoxyphenyl)ethanamine
CID 16785820
(2R)-1-(3,5-dimethylpyrazol-1-yl)-3-[4-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 1099341
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3,5-dimethylpyrazol-1-yl)ethanamine
CID 16643653
1-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-[(4-propoxyphenyl)methyl]urea
CID 87004124
1-[2-amino-2-(4-propoxyphenyl)ethyl]pyrimidin-2-one
CID 16795429
1-[2-amino-2-(4-propoxyphenyl)ethyl]piperidin-2-one
CID 43212279
N',N'-dimethyl-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 16784602
2-butoxy-1-(4-propoxyphenyl)ethanamine
CID 43267600

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-1-(4-propoxyphenyl)ethanamine?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-1-(4-propoxyphenyl)ethanamine (CID 16783595) is 2-(3,5-dimethylpyrazol-1-yl)-1-(4-propoxyphenyl)ethanamine.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-1-(4-propoxyphenyl)ethanamine?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-1-(4-propoxyphenyl)ethanamine is CCCOc1ccc(C(N)Cn2nc(C)cc2C)cc1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-1-(4-propoxyphenyl)ethanamine?
The InChIKey is JKXGSFLFYAXNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-4-9-20-15-7-5-14(6-8-15)16(17)11-19-13(3)10-12(2)18-19/h5-8,10,16H,4,9,11,17H2,1-3H3.
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-1-(4-propoxyphenyl)ethanamine?
2-(3,5-dimethylpyrazol-1-yl)-1-(4-propoxyphenyl)ethanamine has a molecular weight of 273.38 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-1-(4-propoxyphenyl)ethanamine is sourced from PubChem (CID 16783595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).