N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(7-methoxy-1-benzofuran-2-yl)methanamine

C16H19N3O2 — CID 115767795

IUPACN-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(7-methoxy-1-benzofuran-2-yl)methanamine
SMILESCOc1cccc2cc(CNCc3cn(C)nc3C)oc12
InChIInChI=1S/C16H19N3O2/c1-11-13(10-19(2)18-11)8-17-9-14-7-12-5-4-6-15(20-3)16(12)21-14/h4-7,10,17H,8-9H2,1-3H3
InChIKeyIODYJPPVRJGEPR-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.77
Rot. Bonds5

About N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(7-methoxy-1-benzofuran-2-yl)methanamine

N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(7-methoxy-1-benzofuran-2-yl)methanamine (PubChem CID 115767795) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(7-methoxy-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(7-methoxy-1-benzofuran-2-yl)methanamine
PubChem CID115767795
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(7-methoxy-1-benzofuran-2-yl)methanamine
SMILESCOc1cccc2cc(CNCc3cn(C)nc3C)oc12
InChIInChI=1S/C16H19N3O2/c1-11-13(10-19(2)18-11)8-17-9-14-7-12-5-4-6-15(20-3)16(12)21-14/h4-7,10,17H,8-9H2,1-3H3
InChIKeyIODYJPPVRJGEPR-UHFFFAOYSA-N
XLogP2.77
TPSA52.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(7-methoxy-1-benzofuran-2-yl)-N-[(4-methyl-3-pyridinyl)methyl]methanamine
CID 114954888
1-(7-methoxy-1-benzofuran-2-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 63305695
N-[(7-methoxy-1-benzofuran-2-yl)methyl]-1-methylpyrazol-4-amine
CID 43776636
N'-[(7-methoxy-1-benzofuran-2-yl)methyl]ethane-1,2-diamine
CID 19886076
N-methoxy-1-(7-methoxy-1-benzofuran-2-yl)methanamine
CID 82707164
methyl 2-[(7-methoxy-1-benzofuran-2-yl)methylamino]acetate
CID 43756848
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(3-methoxyphenyl)methanamine
CID 19618925
1-cyclopentyl-N-[(7-methoxy-1-benzofuran-2-yl)methyl]methanamine
CID 43432532
N-[(7-methoxy-1-benzofuran-2-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine
CID 61211468
N-[(7-methoxy-1-benzofuran-2-yl)methyl]-1-[(2S,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methanamine
CID 97075440
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(7-methoxy-1-benzofuran-2-yl)methanamine
CID 103701990
1-[(7-methoxy-1-benzofuran-2-yl)methylamino]-3-methylbutan-2-ol
CID 115630665

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(7-methoxy-1-benzofuran-2-yl)methanamine?
The IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(7-methoxy-1-benzofuran-2-yl)methanamine (CID 115767795) is N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(7-methoxy-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(7-methoxy-1-benzofuran-2-yl)methanamine?
The canonical SMILES for N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(7-methoxy-1-benzofuran-2-yl)methanamine is COc1cccc2cc(CNCc3cn(C)nc3C)oc12.
What is the InChIKey of N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(7-methoxy-1-benzofuran-2-yl)methanamine?
The InChIKey is IODYJPPVRJGEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-11-13(10-19(2)18-11)8-17-9-14-7-12-5-4-6-15(20-3)16(12)21-14/h4-7,10,17H,8-9H2,1-3H3.
What are the key properties of N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(7-methoxy-1-benzofuran-2-yl)methanamine?
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(7-methoxy-1-benzofuran-2-yl)methanamine has a molecular weight of 285.35 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(7-methoxy-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 115767795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).