N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine

C15H21N3O — CID 112549268

IUPACN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
SMILESCCc1nn(C)cc1CNC1CCCc2occc21
InChIInChI=1S/C15H21N3O/c1-3-13-11(10-18(2)17-13)9-16-14-5-4-6-15-12(14)7-8-19-15/h7-8,10,14,16H,3-6,9H2,1-2H3
InChIKeyAAEJBFLUNGDUTA-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.74
Rot. Bonds4

About N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine

N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine (PubChem CID 112549268) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine.

Molecular Properties

Compound NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
PubChem CID112549268
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
SMILESCCc1nn(C)cc1CNC1CCCc2occc21
InChIInChI=1S/C15H21N3O/c1-3-13-11(10-18(2)17-13)9-16-14-5-4-6-15-12(14)7-8-19-15/h7-8,10,14,16H,3-6,9H2,1-2H3
InChIKeyAAEJBFLUNGDUTA-UHFFFAOYSA-N
XLogP2.74
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-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-[(1-methylpyrrol-3-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 66399566
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cycloheptanamine
CID 112549120
N-[(2,3-dimethylphenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 54941936
N-[(2-ethoxyphenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 43208241
N-[(1-tert-butyltriazol-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 103398651
N-[(4-cyclopropylphenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 79969251
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]spiro[4.5]decan-8-amine
CID 114817861
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-phenylcyclobutan-1-amine
CID 115885655
N-(1,2-oxazol-5-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 106415750
2-[4-[[[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]amino]methyl]phenyl]propan-2-ol
CID 129402709
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-propylcycloheptan-1-amine
CID 115989316
N-[(2-bromo-5-chlorophenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 66159670

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine (CID 112549268) is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine.
What is the SMILES notation for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The canonical SMILES for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine is CCc1nn(C)cc1CNC1CCCc2occc21.
What is the InChIKey of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The InChIKey is AAEJBFLUNGDUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-3-13-11(10-18(2)17-13)9-16-14-5-4-6-15-12(14)7-8-19-15/h7-8,10,14,16H,3-6,9H2,1-2H3.
What are the key properties of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine has a molecular weight of 259.35 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine is sourced from PubChem (CID 112549268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).