1-benzofuran-2-yl-(1,3-diethylpyrazol-5-yl)methanamine

C16H19N3O — CID 105184781

IUPAC1-benzofuran-2-yl-(1,3-diethylpyrazol-5-yl)methanamine
SMILESCCc1cc(C(N)c2cc3ccccc3o2)n(CC)n1
InChIInChI=1S/C16H19N3O/c1-3-12-10-13(19(4-2)18-12)16(17)15-9-11-7-5-6-8-14(11)20-15/h5-10,16H,3-4,17H2,1-2H3
InChIKeySHSGSNPTLVMAAY-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.26
Rot. Bonds4

About 1-benzofuran-2-yl-(1,3-diethylpyrazol-5-yl)methanamine

1-benzofuran-2-yl-(1,3-diethylpyrazol-5-yl)methanamine (PubChem CID 105184781) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 1-benzofuran-2-yl-(1,3-diethylpyrazol-5-yl)methanamine.

Molecular Properties

Compound Name1-benzofuran-2-yl-(1,3-diethylpyrazol-5-yl)methanamine
PubChem CID105184781
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name1-benzofuran-2-yl-(1,3-diethylpyrazol-5-yl)methanamine
SMILESCCc1cc(C(N)c2cc3ccccc3o2)n(CC)n1
InChIInChI=1S/C16H19N3O/c1-3-12-10-13(19(4-2)18-12)16(17)15-9-11-7-5-6-8-14(11)20-15/h5-10,16H,3-4,17H2,1-2H3
InChIKeySHSGSNPTLVMAAY-UHFFFAOYSA-N
XLogP3.26
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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

1,3-diethyl-5-propan-2-ylpyrazole
CID 118564106
(1,3-diethylpyrazol-5-yl)-(2,6-dimethoxyphenyl)methanamine
CID 105188707
(1,3-diethylpyrazol-5-yl)-(3,4-dimethylphenyl)methanamine
CID 105140273
1-(1,3-diethylpyrazol-5-yl)-3-phenylpropan-1-amine
CID 105093971
1-(1,3-diethylpyrazol-5-yl)prop-2-en-1-amine
CID 105161142
1-benzofuran-2-yl-(1,5-dimethylpyrazol-3-yl)methanamine
CID 114219353
(1,3-diethylpyrazol-5-yl)-(2,3-dihydrofuran-5-yl)methanamine
CID 102653075
1-benzofuran-2-yl-(5-methyl-1-benzofuran-2-yl)methanamine
CID 63326539
[1-(1-benzofuran-2-yl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethyl]hydrazine
CID 105218318
1-benzofuran-2-yl-(1-methylindazol-3-yl)methanamine
CID 103128236
cyclopropyl-(1,3-diethylpyrazol-5-yl)methanamine
CID 105157155
(3-ethyl-1-methylpyrazol-5-yl)-(2-phenylpyrazol-3-yl)methanamine
CID 107331991

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-(1,3-diethylpyrazol-5-yl)methanamine?
The IUPAC name of 1-benzofuran-2-yl-(1,3-diethylpyrazol-5-yl)methanamine (CID 105184781) is 1-benzofuran-2-yl-(1,3-diethylpyrazol-5-yl)methanamine.
What is the SMILES notation for 1-benzofuran-2-yl-(1,3-diethylpyrazol-5-yl)methanamine?
The canonical SMILES for 1-benzofuran-2-yl-(1,3-diethylpyrazol-5-yl)methanamine is CCc1cc(C(N)c2cc3ccccc3o2)n(CC)n1.
What is the InChIKey of 1-benzofuran-2-yl-(1,3-diethylpyrazol-5-yl)methanamine?
The InChIKey is SHSGSNPTLVMAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-3-12-10-13(19(4-2)18-12)16(17)15-9-11-7-5-6-8-14(11)20-15/h5-10,16H,3-4,17H2,1-2H3.
What are the key properties of 1-benzofuran-2-yl-(1,3-diethylpyrazol-5-yl)methanamine?
1-benzofuran-2-yl-(1,3-diethylpyrazol-5-yl)methanamine has a molecular weight of 269.35 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl-(1,3-diethylpyrazol-5-yl)methanamine is sourced from PubChem (CID 105184781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).