N-[(1-pentan-3-ylpyrazol-3-yl)methyl]-2,3-dihydro-1-benzofuran-3-amine

C17H23N3O — CID 64799943

IUPACN-[(1-pentan-3-ylpyrazol-3-yl)methyl]-2,3-dihydro-1-benzofuran-3-amine
SMILESCCC(CC)n1ccc(CNC2COc3ccccc32)n1
InChIInChI=1S/C17H23N3O/c1-3-14(4-2)20-10-9-13(19-20)11-18-16-12-21-17-8-6-5-7-15(16)17/h5-10,14,16,18H,3-4,11-12H2,1-2H3
InChIKeyHYRLBALOLFFBBQ-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.47
Rot. Bonds6

About N-[(1-pentan-3-ylpyrazol-3-yl)methyl]-2,3-dihydro-1-benzofuran-3-amine

N-[(1-pentan-3-ylpyrazol-3-yl)methyl]-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 64799943) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[(1-pentan-3-ylpyrazol-3-yl)methyl]-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound NameN-[(1-pentan-3-ylpyrazol-3-yl)methyl]-2,3-dihydro-1-benzofuran-3-amine
PubChem CID64799943
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-[(1-pentan-3-ylpyrazol-3-yl)methyl]-2,3-dihydro-1-benzofuran-3-amine
SMILESCCC(CC)n1ccc(CNC2COc3ccccc32)n1
InChIInChI=1S/C17H23N3O/c1-3-14(4-2)20-10-9-13(19-20)11-18-16-12-21-17-8-6-5-7-15(16)17/h5-10,14,16,18H,3-4,11-12H2,1-2H3
InChIKeyHYRLBALOLFFBBQ-UHFFFAOYSA-N
XLogP3.47
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2,3,3-tetramethyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopropan-1-amine
CID 79359126
N-[(1-propylpyrrol-2-yl)methyl]-2,3-dihydro-1-benzofuran-3-amine
CID 66445596
N-[(3-propylimidazol-4-yl)methyl]-2,3-dihydro-1-benzofuran-3-amine
CID 66130589
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64801618
1,1-dicyclopropyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]methanamine
CID 64800483
N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2,3-dihydro-1-benzofuran-3-amine
CID 82893450
3-ethyl-2-methyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopentan-1-amine
CID 64921580
3,3-dimethyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopentan-1-amine
CID 114545880
2,3-dimethyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclohexan-1-amine
CID 64799094
N-[(2-cyclopropylphenyl)methyl]-2,3-dihydro-1-benzofuran-3-amine
CID 79883117
N-[[4-(dimethylamino)phenyl]methyl]-2,3-dihydro-1-benzofuran-3-amine
CID 63378811
N-[(5-methylfuran-2-yl)methyl]-2,3-dihydro-1-benzofuran-3-amine
CID 63378721

Frequently Asked Questions

What is the IUPAC name of N-[(1-pentan-3-ylpyrazol-3-yl)methyl]-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of N-[(1-pentan-3-ylpyrazol-3-yl)methyl]-2,3-dihydro-1-benzofuran-3-amine (CID 64799943) is N-[(1-pentan-3-ylpyrazol-3-yl)methyl]-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for N-[(1-pentan-3-ylpyrazol-3-yl)methyl]-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for N-[(1-pentan-3-ylpyrazol-3-yl)methyl]-2,3-dihydro-1-benzofuran-3-amine is CCC(CC)n1ccc(CNC2COc3ccccc32)n1.
What is the InChIKey of N-[(1-pentan-3-ylpyrazol-3-yl)methyl]-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is HYRLBALOLFFBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-3-14(4-2)20-10-9-13(19-20)11-18-16-12-21-17-8-6-5-7-15(16)17/h5-10,14,16,18H,3-4,11-12H2,1-2H3.
What are the key properties of N-[(1-pentan-3-ylpyrazol-3-yl)methyl]-2,3-dihydro-1-benzofuran-3-amine?
N-[(1-pentan-3-ylpyrazol-3-yl)methyl]-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 285.39 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-pentan-3-ylpyrazol-3-yl)methyl]-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 64799943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).