2-[4-[(2R)-2-(aminomethyl)-5-methyl-2,3-dihydro-1-benzofuran-7-yl]pyrazol-1-yl]-N-methylacetamide

C16H20N4O2 — CID 95208143

IUPAC2-[4-[(2R)-2-(aminomethyl)-5-methyl-2,3-dihydro-1-benzofuran-7-yl]pyrazol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1cc(-c2cc(C)cc3c2O[C@@H](CN)C3)cn1
InChIInChI=1S/C16H20N4O2/c1-10-3-11-5-13(6-17)22-16(11)14(4-10)12-7-19-20(8-12)9-15(21)18-2/h3-4,7-8,13H,5-6,9,17H2,1-2H3,(H,18,21)/t13-/m1/s1
InChIKeyGUXRNEIQBLNDGH-CYBMUJFWSA-N
MW300.36 g/mol
LogP0.87
Rot. Bonds4

About 2-[4-[(2R)-2-(aminomethyl)-5-methyl-2,3-dihydro-1-benzofuran-7-yl]pyrazol-1-yl]-N-methylacetamide

2-[4-[(2R)-2-(aminomethyl)-5-methyl-2,3-dihydro-1-benzofuran-7-yl]pyrazol-1-yl]-N-methylacetamide (PubChem CID 95208143) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-[4-[(2R)-2-(aminomethyl)-5-methyl-2,3-dihydro-1-benzofuran-7-yl]pyrazol-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[(2R)-2-(aminomethyl)-5-methyl-2,3-dihydro-1-benzofuran-7-yl]pyrazol-1-yl]-N-methylacetamide
PubChem CID95208143
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name2-[4-[(2R)-2-(aminomethyl)-5-methyl-2,3-dihydro-1-benzofuran-7-yl]pyrazol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1cc(-c2cc(C)cc3c2O[C@@H](CN)C3)cn1
InChIInChI=1S/C16H20N4O2/c1-10-3-11-5-13(6-17)22-16(11)14(4-10)12-7-19-20(8-12)9-15(21)18-2/h3-4,7-8,13H,5-6,9,17H2,1-2H3,(H,18,21)/t13-/m1/s1
InChIKeyGUXRNEIQBLNDGH-CYBMUJFWSA-N
XLogP0.87
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-[2-(aminomethyl)-5-fluoro-2,3-dihydro-1-benzofuran-7-yl]pyrazol-1-yl]propanamide
CID 56705794
4-[2-(aminomethyl)-5-methyl-2,3-dihydro-1-benzofuran-7-yl]thiophene-2-carboxamide
CID 56708880
6-[(2R)-2-(aminomethyl)-5-methyl-2,3-dihydro-1-benzofuran-7-yl]pyridine-3-carboxamide
CID 125171641
[7-(5-fluoropyrimidin-2-yl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 56721337
[(2R)-5-methyl-7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 129395361
[(2S)-5-methyl-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 125178415
4-[2-(aminomethyl)-5-methyl-2,3-dihydro-1-benzofuran-7-yl]-1H-pyrazole-5-carbonitrile
CID 56706700
[(2R)-7-(2,6-dichlorophenyl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 129364398
N-methyl-2-[4-(8-methylquinolin-5-yl)pyrazol-1-yl]acetamide
CID 119067213
2-[4-[2-(aminomethyl)-5-fluoro-2,3-dihydro-1-benzofuran-7-yl]phenyl]-N-ethylacetamide
CID 56706391
(5-methyl-7-thiophen-2-yl-2,3-dihydro-1-benzofuran-2-yl)methanamine
CID 56707530
N-methyl-2-[4-(2-methyl-4-pyridinyl)pyrazol-1-yl]acetamide
CID 121497314

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2R)-2-(aminomethyl)-5-methyl-2,3-dihydro-1-benzofuran-7-yl]pyrazol-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-[(2R)-2-(aminomethyl)-5-methyl-2,3-dihydro-1-benzofuran-7-yl]pyrazol-1-yl]-N-methylacetamide (CID 95208143) is 2-[4-[(2R)-2-(aminomethyl)-5-methyl-2,3-dihydro-1-benzofuran-7-yl]pyrazol-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-[(2R)-2-(aminomethyl)-5-methyl-2,3-dihydro-1-benzofuran-7-yl]pyrazol-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-[(2R)-2-(aminomethyl)-5-methyl-2,3-dihydro-1-benzofuran-7-yl]pyrazol-1-yl]-N-methylacetamide is CNC(=O)Cn1cc(-c2cc(C)cc3c2O[C@@H](CN)C3)cn1.
What is the InChIKey of 2-[4-[(2R)-2-(aminomethyl)-5-methyl-2,3-dihydro-1-benzofuran-7-yl]pyrazol-1-yl]-N-methylacetamide?
The InChIKey is GUXRNEIQBLNDGH-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-10-3-11-5-13(6-17)22-16(11)14(4-10)12-7-19-20(8-12)9-15(21)18-2/h3-4,7-8,13H,5-6,9,17H2,1-2H3,(H,18,21)/t13-/m1/s1.
What are the key properties of 2-[4-[(2R)-2-(aminomethyl)-5-methyl-2,3-dihydro-1-benzofuran-7-yl]pyrazol-1-yl]-N-methylacetamide?
2-[4-[(2R)-2-(aminomethyl)-5-methyl-2,3-dihydro-1-benzofuran-7-yl]pyrazol-1-yl]-N-methylacetamide has a molecular weight of 300.36 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2R)-2-(aminomethyl)-5-methyl-2,3-dihydro-1-benzofuran-7-yl]pyrazol-1-yl]-N-methylacetamide is sourced from PubChem (CID 95208143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).