4-[2-(aminomethyl)-5-methyl-2,3-dihydro-1-benzofuran-7-yl]-1H-pyrazole-5-carbonitrile

C14H14N4O — CID 56706700

IUPAC4-[2-(aminomethyl)-5-methyl-2,3-dihydro-1-benzofuran-7-yl]-1H-pyrazole-5-carbonitrile
SMILESCc1cc2c(c(-c3cn[nH]c3C#N)c1)OC(CN)C2
InChIInChI=1S/C14H14N4O/c1-8-2-9-4-10(5-15)19-14(9)11(3-8)12-7-17-18-13(12)6-16/h2-3,7,10H,4-5,15H2,1H3,(H,17,18)
InChIKeyAVENJDZOFGWUAR-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.52
Rot. Bonds2

About 4-[2-(aminomethyl)-5-methyl-2,3-dihydro-1-benzofuran-7-yl]-1H-pyrazole-5-carbonitrile

4-[2-(aminomethyl)-5-methyl-2,3-dihydro-1-benzofuran-7-yl]-1H-pyrazole-5-carbonitrile (PubChem CID 56706700) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 4-[2-(aminomethyl)-5-methyl-2,3-dihydro-1-benzofuran-7-yl]-1H-pyrazole-5-carbonitrile.

Molecular Properties

Compound Name4-[2-(aminomethyl)-5-methyl-2,3-dihydro-1-benzofuran-7-yl]-1H-pyrazole-5-carbonitrile
PubChem CID56706700
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name4-[2-(aminomethyl)-5-methyl-2,3-dihydro-1-benzofuran-7-yl]-1H-pyrazole-5-carbonitrile
SMILESCc1cc2c(c(-c3cn[nH]c3C#N)c1)OC(CN)C2
InChIInChI=1S/C14H14N4O/c1-8-2-9-4-10(5-15)19-14(9)11(3-8)12-7-17-18-13(12)6-16/h2-3,7,10H,4-5,15H2,1H3,(H,17,18)
InChIKeyAVENJDZOFGWUAR-UHFFFAOYSA-N
XLogP1.52
TPSA87.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[2-(aminomethyl)-5-methyl-2,3-dihydro-1-benzofuran-7-yl]-1H-pyrazole-5-carbonitrile 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

[(2R)-5-methyl-7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 129395361
[7-(5-fluoropyrimidin-2-yl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 56721337
[(2R)-7-(2,6-dichlorophenyl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 129364398
[(2S)-5-methyl-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 125178415
(5-methyl-7-thiophen-2-yl-2,3-dihydro-1-benzofuran-2-yl)methanamine
CID 56707530
[(2R)-5-methyl-7-thiophen-2-yl-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 95206107
6-[(2R)-2-(aminomethyl)-5-methyl-2,3-dihydro-1-benzofuran-7-yl]pyridine-3-carboxamide
CID 125171641
(5-methyl-7-quinolin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methanamine
CID 56711820
[7-(1,3-benzothiazol-2-yl)-5-methyl-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 118759021
2-[4-[(2R)-2-(aminomethyl)-5-methyl-2,3-dihydro-1-benzofuran-7-yl]pyrazol-1-yl]-N-methylacetamide
CID 95208143
4-[2-(aminomethyl)-5-methyl-2,3-dihydro-1-benzofuran-7-yl]thiophene-2-carboxamide
CID 56708880
[5-fluoro-7-(2-methoxy-5-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11323664

Frequently Asked Questions

What is the IUPAC name of 4-[2-(aminomethyl)-5-methyl-2,3-dihydro-1-benzofuran-7-yl]-1H-pyrazole-5-carbonitrile?
The IUPAC name of 4-[2-(aminomethyl)-5-methyl-2,3-dihydro-1-benzofuran-7-yl]-1H-pyrazole-5-carbonitrile (CID 56706700) is 4-[2-(aminomethyl)-5-methyl-2,3-dihydro-1-benzofuran-7-yl]-1H-pyrazole-5-carbonitrile.
What is the SMILES notation for 4-[2-(aminomethyl)-5-methyl-2,3-dihydro-1-benzofuran-7-yl]-1H-pyrazole-5-carbonitrile?
The canonical SMILES for 4-[2-(aminomethyl)-5-methyl-2,3-dihydro-1-benzofuran-7-yl]-1H-pyrazole-5-carbonitrile is Cc1cc2c(c(-c3cn[nH]c3C#N)c1)OC(CN)C2.
What is the InChIKey of 4-[2-(aminomethyl)-5-methyl-2,3-dihydro-1-benzofuran-7-yl]-1H-pyrazole-5-carbonitrile?
The InChIKey is AVENJDZOFGWUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-8-2-9-4-10(5-15)19-14(9)11(3-8)12-7-17-18-13(12)6-16/h2-3,7,10H,4-5,15H2,1H3,(H,17,18).
What are the key properties of 4-[2-(aminomethyl)-5-methyl-2,3-dihydro-1-benzofuran-7-yl]-1H-pyrazole-5-carbonitrile?
4-[2-(aminomethyl)-5-methyl-2,3-dihydro-1-benzofuran-7-yl]-1H-pyrazole-5-carbonitrile has a molecular weight of 254.29 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(aminomethyl)-5-methyl-2,3-dihydro-1-benzofuran-7-yl]-1H-pyrazole-5-carbonitrile is sourced from PubChem (CID 56706700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).