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

C12H13N3O — CID 116827285

IUPAC5-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1H-pyrazol-3-amine
SMILESCNc1cc(-c2ccc3c(c2)CCO3)[nH]n1
InChIInChI=1S/C12H13N3O/c1-13-12-7-10(14-15-12)8-2-3-11-9(6-8)4-5-16-11/h2-3,6-7H,4-5H2,1H3,(H2,13,14,15)
InChIKeyOATBUOHGDXWIBO-UHFFFAOYSA-N
MW215.26 g/mol
LogP2.05
Rot. Bonds2

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

5-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1H-pyrazol-3-amine (PubChem CID 116827285) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 5-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1H-pyrazol-3-amine
PubChem CID116827285
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name5-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1H-pyrazol-3-amine
SMILESCNc1cc(-c2ccc3c(c2)CCO3)[nH]n1
InChIInChI=1S/C12H13N3O/c1-13-12-7-10(14-15-12)8-2-3-11-9(6-8)4-5-16-11/h2-3,6-7H,4-5H2,1H3,(H2,13,14,15)
InChIKeyOATBUOHGDXWIBO-UHFFFAOYSA-N
XLogP2.05
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-(2,3-dihydro-1-benzofuran-5-yl)-1H-pyrazol-3-yl]-4-[(1-methylpiperidin-4-yl)amino]benzamide
CID 155536349
2-bromo-5-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazole
CID 116884325
2-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472790
5-(3,4-dimethoxyphenyl)-N-methyl-1H-pyrazol-3-amine
CID 63047414
5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-propan-2-yl-1H-pyrazol-3-amine
CID 63048823
6-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylpyridazin-3-amine
CID 104544803
N-methyl-5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-3-amine
CID 116827257
1-[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-5-yl]-N-methylethanamine
CID 62653372
2-[[6-(2,3-dihydro-1-benzofuran-5-yl)pyridazin-3-yl]amino]acetonitrile
CID 116971877
5-(2,3-dihydro-1-benzofuran-5-yl)-2-methyl-1H-1,2,4-triazole-3-thione
CID 104601953
3-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpyridine
CID 122202103
[2-(2,3-dihydro-1-benzofuran-5-yl)-6-methylpyrimidin-4-yl]hydrazine
CID 62250356

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1H-pyrazol-3-amine?
The IUPAC name of 5-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1H-pyrazol-3-amine (CID 116827285) is 5-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1H-pyrazol-3-amine?
The canonical SMILES for 5-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1H-pyrazol-3-amine is CNc1cc(-c2ccc3c(c2)CCO3)[nH]n1.
What is the InChIKey of 5-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1H-pyrazol-3-amine?
The InChIKey is OATBUOHGDXWIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-13-12-7-10(14-15-12)8-2-3-11-9(6-8)4-5-16-11/h2-3,6-7H,4-5H2,1H3,(H2,13,14,15).
What are the key properties of 5-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1H-pyrazol-3-amine?
5-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1H-pyrazol-3-amine has a molecular weight of 215.26 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1H-pyrazol-3-amine is sourced from PubChem (CID 116827285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).