1-(1,3-dihydro-2-benzofuran-5-yl)-3-(2-methylpyrazol-3-yl)propan-1-amine

C15H19N3O — CID 103030682

IUPAC1-(1,3-dihydro-2-benzofuran-5-yl)-3-(2-methylpyrazol-3-yl)propan-1-amine
SMILESCn1nccc1CCC(N)c1ccc2c(c1)COC2
InChIInChI=1S/C15H19N3O/c1-18-14(6-7-17-18)4-5-15(16)11-2-3-12-9-19-10-13(12)8-11/h2-3,6-8,15H,4-5,9-10,16H2,1H3
InChIKeyMGBFSBGRBSGACG-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.08
Rot. Bonds4

About 1-(1,3-dihydro-2-benzofuran-5-yl)-3-(2-methylpyrazol-3-yl)propan-1-amine

1-(1,3-dihydro-2-benzofuran-5-yl)-3-(2-methylpyrazol-3-yl)propan-1-amine (PubChem CID 103030682) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-(1,3-dihydro-2-benzofuran-5-yl)-3-(2-methylpyrazol-3-yl)propan-1-amine.

Molecular Properties

Compound Name1-(1,3-dihydro-2-benzofuran-5-yl)-3-(2-methylpyrazol-3-yl)propan-1-amine
PubChem CID103030682
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1-(1,3-dihydro-2-benzofuran-5-yl)-3-(2-methylpyrazol-3-yl)propan-1-amine
SMILESCn1nccc1CCC(N)c1ccc2c(c1)COC2
InChIInChI=1S/C15H19N3O/c1-18-14(6-7-17-18)4-5-15(16)11-2-3-12-9-19-10-13(12)8-11/h2-3,6-8,15H,4-5,9-10,16H2,1H3
InChIKeyMGBFSBGRBSGACG-UHFFFAOYSA-N
XLogP2.08
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-yl)-3-(2-methylpyrazol-3-yl)propan-1-amine?
The IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-yl)-3-(2-methylpyrazol-3-yl)propan-1-amine (CID 103030682) is 1-(1,3-dihydro-2-benzofuran-5-yl)-3-(2-methylpyrazol-3-yl)propan-1-amine.
What is the SMILES notation for 1-(1,3-dihydro-2-benzofuran-5-yl)-3-(2-methylpyrazol-3-yl)propan-1-amine?
The canonical SMILES for 1-(1,3-dihydro-2-benzofuran-5-yl)-3-(2-methylpyrazol-3-yl)propan-1-amine is Cn1nccc1CCC(N)c1ccc2c(c1)COC2.
What is the InChIKey of 1-(1,3-dihydro-2-benzofuran-5-yl)-3-(2-methylpyrazol-3-yl)propan-1-amine?
The InChIKey is MGBFSBGRBSGACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-18-14(6-7-17-18)4-5-15(16)11-2-3-12-9-19-10-13(12)8-11/h2-3,6-8,15H,4-5,9-10,16H2,1H3.
What are the key properties of 1-(1,3-dihydro-2-benzofuran-5-yl)-3-(2-methylpyrazol-3-yl)propan-1-amine?
1-(1,3-dihydro-2-benzofuran-5-yl)-3-(2-methylpyrazol-3-yl)propan-1-amine has a molecular weight of 257.34 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dihydro-2-benzofuran-5-yl)-3-(2-methylpyrazol-3-yl)propan-1-amine is sourced from PubChem (CID 103030682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).