1-(3,4-dimethoxyphenyl)-N-[(1-methylpyrazol-3-yl)methyl]propan-1-amine

C16H23N3O2 — CID 82872955

IUPAC1-(3,4-dimethoxyphenyl)-N-[(1-methylpyrazol-3-yl)methyl]propan-1-amine
SMILESCCC(NCc1ccn(C)n1)c1ccc(OC)c(OC)c1
InChIInChI=1S/C16H23N3O2/c1-5-14(17-11-13-8-9-19(2)18-13)12-6-7-15(20-3)16(10-12)21-4/h6-10,14,17H,5,11H2,1-4H3
InChIKeyCBXCWPFHQATINK-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.68
Rot. Bonds7

About 1-(3,4-dimethoxyphenyl)-N-[(1-methylpyrazol-3-yl)methyl]propan-1-amine

1-(3,4-dimethoxyphenyl)-N-[(1-methylpyrazol-3-yl)methyl]propan-1-amine (PubChem CID 82872955) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-N-[(1-methylpyrazol-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-N-[(1-methylpyrazol-3-yl)methyl]propan-1-amine
PubChem CID82872955
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-(3,4-dimethoxyphenyl)-N-[(1-methylpyrazol-3-yl)methyl]propan-1-amine
SMILESCCC(NCc1ccn(C)n1)c1ccc(OC)c(OC)c1
InChIInChI=1S/C16H23N3O2/c1-5-14(17-11-13-8-9-19(2)18-13)12-6-7-15(20-3)16(10-12)21-4/h6-10,14,17H,5,11H2,1-4H3
InChIKeyCBXCWPFHQATINK-UHFFFAOYSA-N
XLogP2.68
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-dimethoxyphenyl)-N-[(1-methylpyrazol-3-yl)methyl]propan-2-amine
CID 78947948
1-(3,4-dimethoxyphenyl)-N-[(3,4-dimethoxyphenyl)methyl]propan-1-amine
CID 57046449
1-(3,4-dimethoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 63830557
N-ethyl-1-(3-methoxy-4-methylphenyl)-2-(1-methylpyrazol-3-yl)ethanamine
CID 105025440
1-(3,4-dimethoxyphenyl)-N-ethylpropan-1-amine
CID 43200497
1-(3,4-dimethoxyphenyl)-N-(pyridin-4-ylmethyl)propan-1-amine
CID 43204862
1-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)propan-1-amine
CID 43200660
3-[1-(3,4-dimethoxyphenyl)propylamino]propanenitrile
CID 43207726
(1S)-1-(4-methoxyphenyl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine
CID 82867137
(1S)-1-(3,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)propan-1-amine
CID 948867
1-(3,4-dimethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)propan-1-amine
CID 64546221
1-(3,4-dimethoxyphenyl)-N-(2-methoxypropyl)propan-1-amine
CID 102696299

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-N-[(1-methylpyrazol-3-yl)methyl]propan-1-amine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-N-[(1-methylpyrazol-3-yl)methyl]propan-1-amine (CID 82872955) is 1-(3,4-dimethoxyphenyl)-N-[(1-methylpyrazol-3-yl)methyl]propan-1-amine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-N-[(1-methylpyrazol-3-yl)methyl]propan-1-amine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-N-[(1-methylpyrazol-3-yl)methyl]propan-1-amine is CCC(NCc1ccn(C)n1)c1ccc(OC)c(OC)c1.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-N-[(1-methylpyrazol-3-yl)methyl]propan-1-amine?
The InChIKey is CBXCWPFHQATINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-5-14(17-11-13-8-9-19(2)18-13)12-6-7-15(20-3)16(10-12)21-4/h6-10,14,17H,5,11H2,1-4H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-N-[(1-methylpyrazol-3-yl)methyl]propan-1-amine?
1-(3,4-dimethoxyphenyl)-N-[(1-methylpyrazol-3-yl)methyl]propan-1-amine has a molecular weight of 289.38 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-N-[(1-methylpyrazol-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 82872955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).