[7-(1H-pyrazol-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine

C12H13N3O — CID 56716314

IUPAC[7-(1H-pyrazol-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
SMILESNCC1Cc2cccc(-c3cn[nH]c3)c2O1
InChIInChI=1S/C12H13N3O/c13-5-10-4-8-2-1-3-11(12(8)16-10)9-6-14-15-7-9/h1-3,6-7,10H,4-5,13H2,(H,14,15)
InChIKeyOYBUTLLTSFAITA-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.34
Rot. Bonds2

About [7-(1H-pyrazol-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine

[7-(1H-pyrazol-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine (PubChem CID 56716314) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is [7-(1H-pyrazol-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine.

Molecular Properties

Compound Name[7-(1H-pyrazol-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
PubChem CID56716314
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name[7-(1H-pyrazol-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
SMILESNCC1Cc2cccc(-c3cn[nH]c3)c2O1
InChIInChI=1S/C12H13N3O/c13-5-10-4-8-2-1-3-11(12(8)16-10)9-6-14-15-7-9/h1-3,6-7,10H,4-5,13H2,(H,14,15)
InChIKeyOYBUTLLTSFAITA-UHFFFAOYSA-N
XLogP1.34
TPSA63.93 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 ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [7-(1H-pyrazol-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[7-(2,6-dimethyl-4-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 56701421
[(2S)-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 95388290
[(2R)-7-(2-chlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11964054
[7-(1H-indol-5-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 56711734
[(2R)-7-(2,6-dimethylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 129383306
[(2R)-7-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 95225144
[7-(2,3-dichlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 69112690
[7-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methanamine;hydrochloride
CID 141132370
[(2R)-7-[3-(2-methoxyphenyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 95217944
[(2S)-7-(3-fluoro-4-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 95229130
4-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-N-methylbenzamide
CID 56702059
[(2R)-7-(3-methylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 95205980

Frequently Asked Questions

What is the IUPAC name of [7-(1H-pyrazol-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The IUPAC name of [7-(1H-pyrazol-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine (CID 56716314) is [7-(1H-pyrazol-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine.
What is the SMILES notation for [7-(1H-pyrazol-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The canonical SMILES for [7-(1H-pyrazol-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine is NCC1Cc2cccc(-c3cn[nH]c3)c2O1.
What is the InChIKey of [7-(1H-pyrazol-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
The InChIKey is OYBUTLLTSFAITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c13-5-10-4-8-2-1-3-11(12(8)16-10)9-6-14-15-7-9/h1-3,6-7,10H,4-5,13H2,(H,14,15).
What are the key properties of [7-(1H-pyrazol-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine?
[7-(1H-pyrazol-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine has a molecular weight of 215.26 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(1H-pyrazol-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methanamine is sourced from PubChem (CID 56716314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).