5-(2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1H-pyrazol-3-amine

C12H13N3O — CID 117306835

IUPAC5-(2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1H-pyrazol-3-amine
SMILESCC1Cc2ccc(-c3cc(N)n[nH]3)cc2O1
InChIInChI=1S/C12H13N3O/c1-7-4-9-3-2-8(5-11(9)16-7)10-6-12(13)15-14-10/h2-3,5-7H,4H2,1H3,(H3,13,14,15)
InChIKeyBGTOBYOKUZZXOL-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.98
Rot. Bonds1

About 5-(2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1H-pyrazol-3-amine

5-(2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1H-pyrazol-3-amine (PubChem CID 117306835) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 5-(2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1H-pyrazol-3-amine
PubChem CID117306835
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name5-(2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1H-pyrazol-3-amine
SMILESCC1Cc2ccc(-c3cc(N)n[nH]3)cc2O1
InChIInChI=1S/C12H13N3O/c1-7-4-9-3-2-8(5-11(9)16-7)10-6-12(13)15-14-10/h2-3,5-7H,4H2,1H3,(H3,13,14,15)
InChIKeyBGTOBYOKUZZXOL-UHFFFAOYSA-N
XLogP1.98
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1H-pyrazol-3-amine (CID 117306835) is 5-(2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1H-pyrazol-3-amine is CC1Cc2ccc(-c3cc(N)n[nH]3)cc2O1.
What is the InChIKey of 5-(2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1H-pyrazol-3-amine?
The InChIKey is BGTOBYOKUZZXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-7-4-9-3-2-8(5-11(9)16-7)10-6-12(13)15-14-10/h2-3,5-7H,4H2,1H3,(H3,13,14,15).
What are the key properties of 5-(2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1H-pyrazol-3-amine?
5-(2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1H-pyrazol-3-amine has a molecular weight of 215.26 g/mol, XLogP of 1.98, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 117306835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).