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

C12H13N3O — CID 63744696

IUPAC3-(1,3-dihydro-2-benzofuran-5-yl)-1-methylpyrazol-5-amine
SMILESCn1nc(-c2ccc3c(c2)COC3)cc1N
InChIInChI=1S/C12H13N3O/c1-15-12(13)5-11(14-15)8-2-3-9-6-16-7-10(9)4-8/h2-5H,6-7,13H2,1H3
InChIKeyDSAIPTKMLHGPTE-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.70
Rot. Bonds1

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

3-(1,3-dihydro-2-benzofuran-5-yl)-1-methylpyrazol-5-amine (PubChem CID 63744696) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 3-(1,3-dihydro-2-benzofuran-5-yl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-(1,3-dihydro-2-benzofuran-5-yl)-1-methylpyrazol-5-amine
PubChem CID63744696
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name3-(1,3-dihydro-2-benzofuran-5-yl)-1-methylpyrazol-5-amine
SMILESCn1nc(-c2ccc3c(c2)COC3)cc1N
InChIInChI=1S/C12H13N3O/c1-15-12(13)5-11(14-15)8-2-3-9-6-16-7-10(9)4-8/h2-5H,6-7,13H2,1H3
InChIKeyDSAIPTKMLHGPTE-UHFFFAOYSA-N
XLogP1.70
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dihydro-2-benzofuran-5-yl)-1-methylpyrazol-5-amine?
The IUPAC name of 3-(1,3-dihydro-2-benzofuran-5-yl)-1-methylpyrazol-5-amine (CID 63744696) is 3-(1,3-dihydro-2-benzofuran-5-yl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-(1,3-dihydro-2-benzofuran-5-yl)-1-methylpyrazol-5-amine?
The canonical SMILES for 3-(1,3-dihydro-2-benzofuran-5-yl)-1-methylpyrazol-5-amine is Cn1nc(-c2ccc3c(c2)COC3)cc1N.
What is the InChIKey of 3-(1,3-dihydro-2-benzofuran-5-yl)-1-methylpyrazol-5-amine?
The InChIKey is DSAIPTKMLHGPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-15-12(13)5-11(14-15)8-2-3-9-6-16-7-10(9)4-8/h2-5H,6-7,13H2,1H3.
What are the key properties of 3-(1,3-dihydro-2-benzofuran-5-yl)-1-methylpyrazol-5-amine?
3-(1,3-dihydro-2-benzofuran-5-yl)-1-methylpyrazol-5-amine has a molecular weight of 215.26 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dihydro-2-benzofuran-5-yl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 63744696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).