[3-[(1-propylpyrazol-4-yl)oxymethyl]-1-benzofuran-2-yl]methanamine

C16H19N3O2 — CID 116803468

IUPAC[3-[(1-propylpyrazol-4-yl)oxymethyl]-1-benzofuran-2-yl]methanamine
SMILESCCCn1cc(OCc2c(CN)oc3ccccc23)cn1
InChIInChI=1S/C16H19N3O2/c1-2-7-19-10-12(9-18-19)20-11-14-13-5-3-4-6-15(13)21-16(14)8-17/h3-6,9-10H,2,7-8,11,17H2,1H3
InChIKeyMWQPQWCYDIEAAE-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.08
Rot. Bonds6

About [3-[(1-propylpyrazol-4-yl)oxymethyl]-1-benzofuran-2-yl]methanamine

[3-[(1-propylpyrazol-4-yl)oxymethyl]-1-benzofuran-2-yl]methanamine (PubChem CID 116803468) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is [3-[(1-propylpyrazol-4-yl)oxymethyl]-1-benzofuran-2-yl]methanamine.

Molecular Properties

Compound Name[3-[(1-propylpyrazol-4-yl)oxymethyl]-1-benzofuran-2-yl]methanamine
PubChem CID116803468
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name[3-[(1-propylpyrazol-4-yl)oxymethyl]-1-benzofuran-2-yl]methanamine
SMILESCCCn1cc(OCc2c(CN)oc3ccccc23)cn1
InChIInChI=1S/C16H19N3O2/c1-2-7-19-10-12(9-18-19)20-11-14-13-5-3-4-6-15(13)21-16(14)8-17/h3-6,9-10H,2,7-8,11,17H2,1H3
InChIKeyMWQPQWCYDIEAAE-UHFFFAOYSA-N
XLogP3.08
TPSA66.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(pyridin-3-yloxymethyl)-1-benzofuran-2-yl]methanamine
CID 62452295
[3-[(3,5-dimethylphenoxy)methyl]-1-benzofuran-2-yl]methanamine
CID 62453771
[3-[(4-methylsulfanylphenoxy)methyl]-1-benzofuran-2-yl]methanamine
CID 63648436
[3-[(3-iodophenoxy)methyl]-1-benzofuran-2-yl]methanamine
CID 62485146
[1-(1-propylpyrazol-4-yl)oxyisoquinolin-4-yl]methanamine
CID 106777567
2-[(1-propylpyrazol-4-yl)oxymethyl]imidazo[1,2-a]pyridine
CID 116804906
[3-(2-butoxyethoxymethyl)-1-benzofuran-2-yl]methanamine
CID 62456387
3-[(1-methylpyrazol-4-yl)oxymethyl]-1-benzofuran-2-carbohydrazide
CID 116793809
2-ethyl-5-[(1-propylpyrazol-4-yl)oxymethyl]-1,3,4-oxadiazole
CID 116805111
[3-(2-methylpentoxymethyl)-1-benzofuran-2-yl]methanamine
CID 103285698
N-methyl-1-[5-[(1-propylpyrazol-4-yl)oxymethyl]furan-2-yl]methanamine
CID 116803441
1-phenyl-4-[(1-propylpyrazol-4-yl)oxymethyl]pyrazole
CID 116804941

Frequently Asked Questions

What is the IUPAC name of [3-[(1-propylpyrazol-4-yl)oxymethyl]-1-benzofuran-2-yl]methanamine?
The IUPAC name of [3-[(1-propylpyrazol-4-yl)oxymethyl]-1-benzofuran-2-yl]methanamine (CID 116803468) is [3-[(1-propylpyrazol-4-yl)oxymethyl]-1-benzofuran-2-yl]methanamine.
What is the SMILES notation for [3-[(1-propylpyrazol-4-yl)oxymethyl]-1-benzofuran-2-yl]methanamine?
The canonical SMILES for [3-[(1-propylpyrazol-4-yl)oxymethyl]-1-benzofuran-2-yl]methanamine is CCCn1cc(OCc2c(CN)oc3ccccc23)cn1.
What is the InChIKey of [3-[(1-propylpyrazol-4-yl)oxymethyl]-1-benzofuran-2-yl]methanamine?
The InChIKey is MWQPQWCYDIEAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-2-7-19-10-12(9-18-19)20-11-14-13-5-3-4-6-15(13)21-16(14)8-17/h3-6,9-10H,2,7-8,11,17H2,1H3.
What are the key properties of [3-[(1-propylpyrazol-4-yl)oxymethyl]-1-benzofuran-2-yl]methanamine?
[3-[(1-propylpyrazol-4-yl)oxymethyl]-1-benzofuran-2-yl]methanamine has a molecular weight of 285.35 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(1-propylpyrazol-4-yl)oxymethyl]-1-benzofuran-2-yl]methanamine is sourced from PubChem (CID 116803468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).