N-[(1,5-dimethylpyrazol-4-yl)-(3-methoxyphenyl)methyl]ethanamine

C15H21N3O — CID 105086489

IUPACN-[(1,5-dimethylpyrazol-4-yl)-(3-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1cccc(OC)c1)c1cnn(C)c1C
InChIInChI=1S/C15H21N3O/c1-5-16-15(14-10-17-18(3)11(14)2)12-7-6-8-13(9-12)19-4/h6-10,15-16H,5H2,1-4H3
InChIKeyZXGGVAFNEJEDCE-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.44
Rot. Bonds5

About N-[(1,5-dimethylpyrazol-4-yl)-(3-methoxyphenyl)methyl]ethanamine

N-[(1,5-dimethylpyrazol-4-yl)-(3-methoxyphenyl)methyl]ethanamine (PubChem CID 105086489) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)-(3-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)-(3-methoxyphenyl)methyl]ethanamine
PubChem CID105086489
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)-(3-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1cccc(OC)c1)c1cnn(C)c1C
InChIInChI=1S/C15H21N3O/c1-5-16-15(14-10-17-18(3)11(14)2)12-7-6-8-13(9-12)19-4/h6-10,15-16H,5H2,1-4H3
InChIKeyZXGGVAFNEJEDCE-UHFFFAOYSA-N
XLogP2.44
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,5-dimethoxyphenyl)-(1,5-dimethylpyrazol-4-yl)methyl]ethanamine
CID 105145779
N-[(4-chloro-3-methoxyphenyl)-(1,5-dimethylpyrazol-4-yl)methyl]ethanamine
CID 105164576
N-[(3-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 43492453
N-[(1,5-dimethylpyrazol-4-yl)-(3-propylphenyl)methyl]propan-1-amine
CID 105187854
N-[(3-methoxyphenyl)-(3-methylphenyl)methyl]ethanamine
CID 60797781
N-[(2-chlorophenyl)-(3-methoxyphenyl)methyl]ethanamine
CID 61030140
N-[(3,5-dibromophenyl)-(3-methoxyphenyl)methyl]ethanamine
CID 107973557
N-[2,3-dihydro-1,4-benzodioxin-6-yl-(1,5-dimethylpyrazol-4-yl)methyl]ethanamine
CID 105141141
N-[(1,5-dimethylpyrazol-4-yl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine
CID 105176578
N-[(1,5-dimethylpyrazol-4-yl)-isoquinolin-8-ylmethyl]ethanamine
CID 103136936
N-[(4-bromo-1-methylpyrazol-5-yl)-(3-ethoxyphenyl)methyl]ethanamine
CID 114646181
N-[(4-ethoxyphenyl)-(3-methoxyphenyl)methyl]ethanamine
CID 43489444

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)-(3-methoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)-(3-methoxyphenyl)methyl]ethanamine (CID 105086489) is N-[(1,5-dimethylpyrazol-4-yl)-(3-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)-(3-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)-(3-methoxyphenyl)methyl]ethanamine is CCNC(c1cccc(OC)c1)c1cnn(C)c1C.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)-(3-methoxyphenyl)methyl]ethanamine?
The InChIKey is ZXGGVAFNEJEDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-5-16-15(14-10-17-18(3)11(14)2)12-7-6-8-13(9-12)19-4/h6-10,15-16H,5H2,1-4H3.
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)-(3-methoxyphenyl)methyl]ethanamine?
N-[(1,5-dimethylpyrazol-4-yl)-(3-methoxyphenyl)methyl]ethanamine has a molecular weight of 259.35 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)-(3-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 105086489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).