2,3-dihydro-1-benzofuran-3-yl-(4-methoxy-1-methylpyrazol-5-yl)methanamine

C14H17N3O2 — CID 114659976

IUPAC2,3-dihydro-1-benzofuran-3-yl-(4-methoxy-1-methylpyrazol-5-yl)methanamine
SMILESCOc1cnn(C)c1C(N)C1COc2ccccc21
InChIInChI=1S/C14H17N3O2/c1-17-14(12(18-2)7-16-17)13(15)10-8-19-11-6-4-3-5-9(10)11/h3-7,10,13H,8,15H2,1-2H3
InChIKeyORQIUPUKAWGAGV-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.60
Rot. Bonds3

About 2,3-dihydro-1-benzofuran-3-yl-(4-methoxy-1-methylpyrazol-5-yl)methanamine

2,3-dihydro-1-benzofuran-3-yl-(4-methoxy-1-methylpyrazol-5-yl)methanamine (PubChem CID 114659976) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-3-yl-(4-methoxy-1-methylpyrazol-5-yl)methanamine.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-3-yl-(4-methoxy-1-methylpyrazol-5-yl)methanamine
PubChem CID114659976
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2,3-dihydro-1-benzofuran-3-yl-(4-methoxy-1-methylpyrazol-5-yl)methanamine
SMILESCOc1cnn(C)c1C(N)C1COc2ccccc21
InChIInChI=1S/C14H17N3O2/c1-17-14(12(18-2)7-16-17)13(15)10-8-19-11-6-4-3-5-9(10)11/h3-7,10,13H,8,15H2,1-2H3
InChIKeyORQIUPUKAWGAGV-UHFFFAOYSA-N
XLogP1.60
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3,4-dihydro-2H-chromen-4-yl-(4-methoxy-1-methylpyrazol-5-yl)methyl]hydrazine
CID 105233842
cyclopropyl-(4-methoxy-1-methylpyrazol-5-yl)methanamine
CID 114646874
(1R)-1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]ethanamine
CID 96839651
N-[(4-bromo-1-methylpyrazol-5-yl)-(2,3-dihydro-1-benzofuran-3-yl)methyl]ethanamine
CID 114659991
(4-methoxy-1-methylpyrazol-5-yl)-(1-phenylcyclobutyl)methanamine
CID 114650812
1-(2,3-dihydro-1-benzofuran-3-yl)-2-(2-fluoro-3-methoxyphenyl)ethanamine
CID 104794252
(4-ethylcyclohexyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine
CID 114655202
2,3-dihydro-1-benzofuran-3-yl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone
CID 114642156
[2,3-dihydro-1H-inden-2-yl-(4-methoxy-1-methylpyrazol-5-yl)methyl]hydrazine
CID 105234228
1-(4-chloro-1-methylpyrazol-5-yl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine
CID 114655760
1-(4-methoxy-1-methylpyrazol-5-yl)-2-(2-methylphenyl)ethanamine
CID 114648841
(4-cyclopropyloxyphenyl)-(2,3-dihydro-1-benzofuran-3-yl)methanamine
CID 114519731

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-3-yl-(4-methoxy-1-methylpyrazol-5-yl)methanamine?
The IUPAC name of 2,3-dihydro-1-benzofuran-3-yl-(4-methoxy-1-methylpyrazol-5-yl)methanamine (CID 114659976) is 2,3-dihydro-1-benzofuran-3-yl-(4-methoxy-1-methylpyrazol-5-yl)methanamine.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-3-yl-(4-methoxy-1-methylpyrazol-5-yl)methanamine?
The canonical SMILES for 2,3-dihydro-1-benzofuran-3-yl-(4-methoxy-1-methylpyrazol-5-yl)methanamine is COc1cnn(C)c1C(N)C1COc2ccccc21.
What is the InChIKey of 2,3-dihydro-1-benzofuran-3-yl-(4-methoxy-1-methylpyrazol-5-yl)methanamine?
The InChIKey is ORQIUPUKAWGAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-17-14(12(18-2)7-16-17)13(15)10-8-19-11-6-4-3-5-9(10)11/h3-7,10,13H,8,15H2,1-2H3.
What are the key properties of 2,3-dihydro-1-benzofuran-3-yl-(4-methoxy-1-methylpyrazol-5-yl)methanamine?
2,3-dihydro-1-benzofuran-3-yl-(4-methoxy-1-methylpyrazol-5-yl)methanamine has a molecular weight of 259.31 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzofuran-3-yl-(4-methoxy-1-methylpyrazol-5-yl)methanamine is sourced from PubChem (CID 114659976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).