N-[(7-methyl-1-benzofuran-2-yl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine

C17H21N3O — CID 114729058

IUPACN-[(7-methyl-1-benzofuran-2-yl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1cnn(C)c1)c1cc2cccc(C)c2o1
InChIInChI=1S/C17H21N3O/c1-4-8-18-16(14-10-19-20(3)11-14)15-9-13-7-5-6-12(2)17(13)21-15/h5-7,9-11,16,18H,4,8H2,1-3H3
InChIKeyXAPMWNWYABCWBB-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.56
Rot. Bonds5

About N-[(7-methyl-1-benzofuran-2-yl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine

N-[(7-methyl-1-benzofuran-2-yl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine (PubChem CID 114729058) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-[(7-methyl-1-benzofuran-2-yl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(7-methyl-1-benzofuran-2-yl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine
PubChem CID114729058
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-[(7-methyl-1-benzofuran-2-yl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1cnn(C)c1)c1cc2cccc(C)c2o1
InChIInChI=1S/C17H21N3O/c1-4-8-18-16(14-10-19-20(3)11-14)15-9-13-7-5-6-12(2)17(13)21-15/h5-7,9-11,16,18H,4,8H2,1-3H3
InChIKeyXAPMWNWYABCWBB-UHFFFAOYSA-N
XLogP3.56
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(7-methyl-1-benzofuran-2-yl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine 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

N-[(7-chloro-1-benzofuran-2-yl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 114729059
N-[(7-methyl-1-benzofuran-2-yl)-(2H-triazol-4-yl)methyl]propan-1-amine
CID 114730277
N-[(3-chlorophenyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 43497323
N-[(7-methyl-1-benzofuran-2-yl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 105045492
N-[(2-bromophenyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 43497333
N-[3-bicyclo[3.1.0]hexanyl-(7-methyl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 105045439
N-[(7-fluoro-1-benzofuran-2-yl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 102923898
N-[[3-(difluoromethoxy)phenyl]-(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 43497241
N-[(2,3-dimethylphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 43492469
N-[1-(7-methyl-1-benzofuran-2-yl)-2-methylsulfonylethyl]propan-1-amine
CID 105045409
N-[(7-fluoro-1-benzofuran-2-yl)-(furan-3-yl)methyl]propan-1-amine
CID 114728711
N-[(7-methyl-1-benzofuran-2-yl)-(2-methyloxolan-2-yl)methyl]propan-1-amine
CID 114730077

Frequently Asked Questions

What is the IUPAC name of N-[(7-methyl-1-benzofuran-2-yl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine?
The IUPAC name of N-[(7-methyl-1-benzofuran-2-yl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine (CID 114729058) is N-[(7-methyl-1-benzofuran-2-yl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(7-methyl-1-benzofuran-2-yl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(7-methyl-1-benzofuran-2-yl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine is CCCNC(c1cnn(C)c1)c1cc2cccc(C)c2o1.
What is the InChIKey of N-[(7-methyl-1-benzofuran-2-yl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine?
The InChIKey is XAPMWNWYABCWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-4-8-18-16(14-10-19-20(3)11-14)15-9-13-7-5-6-12(2)17(13)21-15/h5-7,9-11,16,18H,4,8H2,1-3H3.
What are the key properties of N-[(7-methyl-1-benzofuran-2-yl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine?
N-[(7-methyl-1-benzofuran-2-yl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine has a molecular weight of 283.38 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-methyl-1-benzofuran-2-yl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 114729058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).