1-(1-benzofuran-2-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpropan-1-amine

C18H23N3O — CID 86781091

IUPAC1-(1-benzofuran-2-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpropan-1-amine
SMILESCc1c(CNC(c2cc3ccccc3o2)C(C)C)cnn1C
InChIInChI=1S/C18H23N3O/c1-12(2)18(19-10-15-11-20-21(4)13(15)3)17-9-14-7-5-6-8-16(14)22-17/h5-9,11-12,18-19H,10H2,1-4H3
InChIKeyLMGDSDNQQBFZHQ-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.96
Rot. Bonds5

About 1-(1-benzofuran-2-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpropan-1-amine

1-(1-benzofuran-2-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpropan-1-amine (PubChem CID 86781091) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpropan-1-amine
PubChem CID86781091
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name1-(1-benzofuran-2-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpropan-1-amine
SMILESCc1c(CNC(c2cc3ccccc3o2)C(C)C)cnn1C
InChIInChI=1S/C18H23N3O/c1-12(2)18(19-10-15-11-20-21(4)13(15)3)17-9-14-7-5-6-8-16(14)22-17/h5-9,11-12,18-19H,10H2,1-4H3
InChIKeyLMGDSDNQQBFZHQ-UHFFFAOYSA-N
XLogP3.96
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-bromo-1-benzofuran-2-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]ethanamine
CID 103922096
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)-2-methylpropan-1-amine
CID 79578972
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(furan-2-yl)ethanamine
CID 79579138
1-(1-benzothiophen-2-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]ethanamine
CID 103851641
(2R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]butan-2-amine
CID 93459109
1-(1-benzofuran-2-yl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 43722034
1-[(1,5-dimethylpyrazol-4-yl)methylamino]ethanol
CID 155693973
(1S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-thiophen-2-ylethanamine
CID 81398244
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,5-dimethylpyrrol-1-amine
CID 79578493
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methyl-4-phenylpentan-2-amine
CID 103851409
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 97231371
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 103851647

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpropan-1-amine?
The IUPAC name of 1-(1-benzofuran-2-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpropan-1-amine (CID 86781091) is 1-(1-benzofuran-2-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for 1-(1-benzofuran-2-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpropan-1-amine is Cc1c(CNC(c2cc3ccccc3o2)C(C)C)cnn1C.
What is the InChIKey of 1-(1-benzofuran-2-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpropan-1-amine?
The InChIKey is LMGDSDNQQBFZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-12(2)18(19-10-15-11-20-21(4)13(15)3)17-9-14-7-5-6-8-16(14)22-17/h5-9,11-12,18-19H,10H2,1-4H3.
What are the key properties of 1-(1-benzofuran-2-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpropan-1-amine?
1-(1-benzofuran-2-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpropan-1-amine has a molecular weight of 297.40 g/mol, XLogP of 3.96, 5 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)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 86781091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).