1-(1-benzofuran-2-yl)-1-(2,5-dimethylpyrazol-3-yl)-N-methylmethanamine

C15H17N3O — CID 105184868

IUPAC1-(1-benzofuran-2-yl)-1-(2,5-dimethylpyrazol-3-yl)-N-methylmethanamine
SMILESCNC(c1cc2ccccc2o1)c1cc(C)nn1C
InChIInChI=1S/C15H17N3O/c1-10-8-12(18(3)17-10)15(16-2)14-9-11-6-4-5-7-13(11)19-14/h4-9,15-16H,1-3H3
InChIKeyOTSVXTWHVFPDOJ-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.78
Rot. Bonds3

About 1-(1-benzofuran-2-yl)-1-(2,5-dimethylpyrazol-3-yl)-N-methylmethanamine

1-(1-benzofuran-2-yl)-1-(2,5-dimethylpyrazol-3-yl)-N-methylmethanamine (PubChem CID 105184868) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-1-(2,5-dimethylpyrazol-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-1-(2,5-dimethylpyrazol-3-yl)-N-methylmethanamine
PubChem CID105184868
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name1-(1-benzofuran-2-yl)-1-(2,5-dimethylpyrazol-3-yl)-N-methylmethanamine
SMILESCNC(c1cc2ccccc2o1)c1cc(C)nn1C
InChIInChI=1S/C15H17N3O/c1-10-8-12(18(3)17-10)15(16-2)14-9-11-6-4-5-7-13(11)19-14/h4-9,15-16H,1-3H3
InChIKeyOTSVXTWHVFPDOJ-UHFFFAOYSA-N
XLogP2.78
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-benzofuran-2-yl)-2-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-methylethanamine
CID 64626414
1-(1-benzofuran-2-yl)-1-(4-chloro-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 114651275
1-(1-benzofuran-2-yl)-1-(4-bromo-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 114651287
1-benzofuran-2-yl-(1,5-dimethylpyrazol-3-yl)methanamine
CID 114219353
1-(1-benzofuran-2-yl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine
CID 105044001
1-(1-benzothiophen-7-yl)-1-(2,5-dimethylpyrazol-3-yl)-N-methylmethanamine
CID 105172867
1-(2,5-dimethylpyrazol-3-yl)-N-methyl-1-pyridin-3-ylmethanamine
CID 105098559
1-(1-benzofuran-2-yl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 63091128
1-(2,5-dimethylpyrazol-3-yl)-N-methyl-1-(3-propylphenyl)methanamine
CID 105187988
1-(1-benzofuran-2-yl)-N-methyl-1-pyrazin-2-ylmethanamine
CID 63969228
1-(1-benzofuran-2-yl)-1-(3-chloro-2-methylphenyl)-N-methylmethanamine
CID 107103108
1-(1-benzofuran-2-yl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylmethanamine
CID 106881512

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-1-(2,5-dimethylpyrazol-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(1-benzofuran-2-yl)-1-(2,5-dimethylpyrazol-3-yl)-N-methylmethanamine (CID 105184868) is 1-(1-benzofuran-2-yl)-1-(2,5-dimethylpyrazol-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-1-(2,5-dimethylpyrazol-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(1-benzofuran-2-yl)-1-(2,5-dimethylpyrazol-3-yl)-N-methylmethanamine is CNC(c1cc2ccccc2o1)c1cc(C)nn1C.
What is the InChIKey of 1-(1-benzofuran-2-yl)-1-(2,5-dimethylpyrazol-3-yl)-N-methylmethanamine?
The InChIKey is OTSVXTWHVFPDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-10-8-12(18(3)17-10)15(16-2)14-9-11-6-4-5-7-13(11)19-14/h4-9,15-16H,1-3H3.
What are the key properties of 1-(1-benzofuran-2-yl)-1-(2,5-dimethylpyrazol-3-yl)-N-methylmethanamine?
1-(1-benzofuran-2-yl)-1-(2,5-dimethylpyrazol-3-yl)-N-methylmethanamine has a molecular weight of 255.32 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-1-(2,5-dimethylpyrazol-3-yl)-N-methylmethanamine is sourced from PubChem (CID 105184868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).