[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-5-methylpyrazol-4-yl]methanamine

C14H17N3O — CID 79230320

IUPAC[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-5-methylpyrazol-4-yl]methanamine
SMILESCc1c(CN)cnn1CC1COc2ccccc21
InChIInChI=1S/C14H17N3O/c1-10-11(6-15)7-16-17(10)8-12-9-18-14-5-3-2-4-13(12)14/h2-5,7,12H,6,8-9,15H2,1H3
InChIKeyTZDBLPBNBWWMAG-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.83
Rot. Bonds3

About [1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-5-methylpyrazol-4-yl]methanamine

[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-5-methylpyrazol-4-yl]methanamine (PubChem CID 79230320) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is [1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-5-methylpyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-5-methylpyrazol-4-yl]methanamine
PubChem CID79230320
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-5-methylpyrazol-4-yl]methanamine
SMILESCc1c(CN)cnn1CC1COc2ccccc21
InChIInChI=1S/C14H17N3O/c1-10-11(6-15)7-16-17(10)8-12-9-18-14-5-3-2-4-13(12)14/h2-5,7,12H,6,8-9,15H2,1H3
InChIKeyTZDBLPBNBWWMAG-UHFFFAOYSA-N
XLogP1.83
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-5-methylpyrazol-4-yl]methanamine?
The IUPAC name of [1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-5-methylpyrazol-4-yl]methanamine (CID 79230320) is [1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-5-methylpyrazol-4-yl]methanamine.
What is the SMILES notation for [1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-5-methylpyrazol-4-yl]methanamine?
The canonical SMILES for [1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-5-methylpyrazol-4-yl]methanamine is Cc1c(CN)cnn1CC1COc2ccccc21.
What is the InChIKey of [1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-5-methylpyrazol-4-yl]methanamine?
The InChIKey is TZDBLPBNBWWMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10-11(6-15)7-16-17(10)8-12-9-18-14-5-3-2-4-13(12)14/h2-5,7,12H,6,8-9,15H2,1H3.
What are the key properties of [1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-5-methylpyrazol-4-yl]methanamine?
[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-5-methylpyrazol-4-yl]methanamine has a molecular weight of 243.31 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-5-methylpyrazol-4-yl]methanamine is sourced from PubChem (CID 79230320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).