1-[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)pyrazol-4-yl]-N-methylmethanamine

C14H17N3O — CID 79229611

IUPAC1-[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)pyrazol-4-yl]-N-methylmethanamine
SMILESCNCc1cnn(CC2COc3ccccc32)c1
InChIInChI=1S/C14H17N3O/c1-15-6-11-7-16-17(8-11)9-12-10-18-14-5-3-2-4-13(12)14/h2-5,7-8,12,15H,6,9-10H2,1H3
InChIKeyMBVFGQRIHRDTHK-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.78
Rot. Bonds4

About 1-[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)pyrazol-4-yl]-N-methylmethanamine

1-[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)pyrazol-4-yl]-N-methylmethanamine (PubChem CID 79229611) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)pyrazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)pyrazol-4-yl]-N-methylmethanamine
PubChem CID79229611
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name1-[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)pyrazol-4-yl]-N-methylmethanamine
SMILESCNCc1cnn(CC2COc3ccccc32)c1
InChIInChI=1S/C14H17N3O/c1-15-6-11-7-16-17(8-11)9-12-10-18-14-5-3-2-4-13(12)14/h2-5,7-8,12,15H,6,9-10H2,1H3
InChIKeyMBVFGQRIHRDTHK-UHFFFAOYSA-N
XLogP1.78
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)pyrazol-4-yl]-N-methylmethanamine 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

1-(3,4-dihydro-2H-chromen-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 115618954
1-[1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrrol-3-yl]-N-methylmethanamine
CID 104769097
2-amino-N-[[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)triazol-4-yl]methyl]acetamide
CID 114778327
3-benzyl-2,3-dihydro-1-benzofuran
CID 11356275
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1,3-dimethylpyrazol-4-amine
CID 102805247
[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-5-methylpyrazol-4-yl]methanamine
CID 79230320
1-(2,3-dihydro-1-benzofuran-3-yl)-N-(pyridin-4-ylmethyl)methanamine
CID 79226899
N-[[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)imidazol-2-yl]methyl]ethanamine
CID 79230369
1-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazole-4-sulfonamide
CID 104772593
1-[2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-3-methylphenyl]-N-methylmethanamine
CID 115952258
1-[3-bromo-2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)phenyl]-N-methylmethanamine
CID 79218484
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)methanesulfonamide
CID 110751798

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)pyrazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)pyrazol-4-yl]-N-methylmethanamine (CID 79229611) is 1-[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)pyrazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)pyrazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)pyrazol-4-yl]-N-methylmethanamine is CNCc1cnn(CC2COc3ccccc32)c1.
What is the InChIKey of 1-[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)pyrazol-4-yl]-N-methylmethanamine?
The InChIKey is MBVFGQRIHRDTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-15-6-11-7-16-17(8-11)9-12-10-18-14-5-3-2-4-13(12)14/h2-5,7-8,12,15H,6,9-10H2,1H3.
What are the key properties of 1-[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)pyrazol-4-yl]-N-methylmethanamine?
1-[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)pyrazol-4-yl]-N-methylmethanamine has a molecular weight of 243.31 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)pyrazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 79229611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).