1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine

C17H23N3O — CID 103859267

IUPAC1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine
SMILESCc1c(CNCc2ccc3c(c2)CC(C)(C)O3)cnn1C
InChIInChI=1S/C17H23N3O/c1-12-15(11-19-20(12)4)10-18-9-13-5-6-16-14(7-13)8-17(2,3)21-16/h5-7,11,18H,8-10H2,1-4H3
InChIKeyLSNBNOADGOIDKB-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.73
Rot. Bonds4

About 1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine

1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine (PubChem CID 103859267) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine
PubChem CID103859267
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine
SMILESCc1c(CNCc2ccc3c(c2)CC(C)(C)O3)cnn1C
InChIInChI=1S/C17H23N3O/c1-12-15(11-19-20(12)4)10-18-9-13-5-6-16-14(7-13)8-17(2,3)21-16/h5-7,11,18H,8-10H2,1-4H3
InChIKeyLSNBNOADGOIDKB-UHFFFAOYSA-N
XLogP2.73
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine (CID 103859267) is 1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine is Cc1c(CNCc2ccc3c(c2)CC(C)(C)O3)cnn1C.
What is the InChIKey of 1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine?
The InChIKey is LSNBNOADGOIDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-12-15(11-19-20(12)4)10-18-9-13-5-6-16-14(7-13)8-17(2,3)21-16/h5-7,11,18H,8-10H2,1-4H3.
What are the key properties of 1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine?
1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine has a molecular weight of 285.39 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine is sourced from PubChem (CID 103859267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).