N-[1-benzofuran-2-yl-(1-methylpyrazol-3-yl)methyl]propan-1-amine

C16H19N3O — CID 114729081

IUPACN-[1-benzofuran-2-yl-(1-methylpyrazol-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccn(C)n1)c1cc2ccccc2o1
InChIInChI=1S/C16H19N3O/c1-3-9-17-16(13-8-10-19(2)18-13)15-11-12-6-4-5-7-14(12)20-15/h4-8,10-11,16-17H,3,9H2,1-2H3
InChIKeyLGACMDGHCJEYFU-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.26
Rot. Bonds5

About N-[1-benzofuran-2-yl-(1-methylpyrazol-3-yl)methyl]propan-1-amine

N-[1-benzofuran-2-yl-(1-methylpyrazol-3-yl)methyl]propan-1-amine (PubChem CID 114729081) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-[1-benzofuran-2-yl-(1-methylpyrazol-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-benzofuran-2-yl-(1-methylpyrazol-3-yl)methyl]propan-1-amine
PubChem CID114729081
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-[1-benzofuran-2-yl-(1-methylpyrazol-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccn(C)n1)c1cc2ccccc2o1
InChIInChI=1S/C16H19N3O/c1-3-9-17-16(13-8-10-19(2)18-13)15-11-12-6-4-5-7-14(12)20-15/h4-8,10-11,16-17H,3,9H2,1-2H3
InChIKeyLGACMDGHCJEYFU-UHFFFAOYSA-N
XLogP3.26
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-fluoro-1-benzofuran-2-yl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 114729086
N-[1-benzofuran-2-yl(pyridin-2-yl)methyl]propan-1-amine
CID 114727718
N-[(1-methylpyrazol-3-yl)-pyrimidin-2-ylmethyl]propan-1-amine
CID 103130771
N-[1-benzofuran-2-yl-(4,5-dibromothiophen-2-yl)methyl]propan-1-amine
CID 105043923
N-[(2-tert-butylphenyl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 103135640
N-[(3,5-dichlorophenyl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 103135352
N-[(1-methylindazol-3-yl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 103134392
N-[1-benzofuran-2-yl-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 115374532
N-[1-benzofuran-2-yl-(3-ethylthiophen-2-yl)methyl]propan-1-amine
CID 105044087
N-[(4,5-dimethylthiophen-2-yl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 103134486
N-[1-benzofuran-2-yl(2,3-dihydrofuran-5-yl)methyl]propan-1-amine
CID 102651524
N-[(3-bromo-4-methylphenyl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 103135450

Frequently Asked Questions

What is the IUPAC name of N-[1-benzofuran-2-yl-(1-methylpyrazol-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[1-benzofuran-2-yl-(1-methylpyrazol-3-yl)methyl]propan-1-amine (CID 114729081) is N-[1-benzofuran-2-yl-(1-methylpyrazol-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[1-benzofuran-2-yl-(1-methylpyrazol-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[1-benzofuran-2-yl-(1-methylpyrazol-3-yl)methyl]propan-1-amine is CCCNC(c1ccn(C)n1)c1cc2ccccc2o1.
What is the InChIKey of N-[1-benzofuran-2-yl-(1-methylpyrazol-3-yl)methyl]propan-1-amine?
The InChIKey is LGACMDGHCJEYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-3-9-17-16(13-8-10-19(2)18-13)15-11-12-6-4-5-7-14(12)20-15/h4-8,10-11,16-17H,3,9H2,1-2H3.
What are the key properties of N-[1-benzofuran-2-yl-(1-methylpyrazol-3-yl)methyl]propan-1-amine?
N-[1-benzofuran-2-yl-(1-methylpyrazol-3-yl)methyl]propan-1-amine has a molecular weight of 269.35 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-benzofuran-2-yl-(1-methylpyrazol-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 114729081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).