1-(7-methyl-1-benzofuran-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine

C17H21N3O — CID 105185570

IUPAC1-(7-methyl-1-benzofuran-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
SMILESCc1nn(C)c(C)c1CC(N)c1cc2cccc(C)c2o1
InChIInChI=1S/C17H21N3O/c1-10-6-5-7-13-8-16(21-17(10)13)15(18)9-14-11(2)19-20(4)12(14)3/h5-8,15H,9,18H2,1-4H3
InChIKeySMXHBNNCBDOYGE-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.33
Rot. Bonds3

About 1-(7-methyl-1-benzofuran-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine

1-(7-methyl-1-benzofuran-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine (PubChem CID 105185570) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 1-(7-methyl-1-benzofuran-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name1-(7-methyl-1-benzofuran-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
PubChem CID105185570
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name1-(7-methyl-1-benzofuran-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
SMILESCc1nn(C)c(C)c1CC(N)c1cc2cccc(C)c2o1
InChIInChI=1S/C17H21N3O/c1-10-6-5-7-13-8-16(21-17(10)13)15(18)9-14-11(2)19-20(4)12(14)3/h5-8,15H,9,18H2,1-4H3
InChIKeySMXHBNNCBDOYGE-UHFFFAOYSA-N
XLogP3.33
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105094800
1-(7-methyl-1-benzofuran-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 105132029
1-(7-methyl-1-benzofuran-2-yl)propan-1-amine
CID 65440950
1-(2,4,5-trimethylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105155115
(7-methyl-1-benzofuran-2-yl)-(2-methylpyrazol-3-yl)methanamine
CID 105185597
1-quinolin-6-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105172407
2-(3,4-difluorophenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanamine
CID 105045588
1-isoquinolin-4-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105147431
1-[3-(trifluoromethyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105141485
1-(3-propylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105187974
3-methoxy-1-(7-methyl-1-benzofuran-2-yl)propan-1-amine
CID 114728058
1-(4-methoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105095428

Frequently Asked Questions

What is the IUPAC name of 1-(7-methyl-1-benzofuran-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The IUPAC name of 1-(7-methyl-1-benzofuran-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine (CID 105185570) is 1-(7-methyl-1-benzofuran-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine.
What is the SMILES notation for 1-(7-methyl-1-benzofuran-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The canonical SMILES for 1-(7-methyl-1-benzofuran-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine is Cc1nn(C)c(C)c1CC(N)c1cc2cccc(C)c2o1.
What is the InChIKey of 1-(7-methyl-1-benzofuran-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The InChIKey is SMXHBNNCBDOYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-10-6-5-7-13-8-16(21-17(10)13)15(18)9-14-11(2)19-20(4)12(14)3/h5-8,15H,9,18H2,1-4H3.
What are the key properties of 1-(7-methyl-1-benzofuran-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
1-(7-methyl-1-benzofuran-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine has a molecular weight of 283.38 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methyl-1-benzofuran-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 105185570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).