2-(1,3-diethylpyrazol-5-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine

C17H23N3O — CID 105001631

IUPAC2-(1,3-diethylpyrazol-5-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine
SMILESCCc1cc(CC(N)c2ccc3c(c2)CCO3)n(CC)n1
InChIInChI=1S/C17H23N3O/c1-3-14-10-15(20(4-2)19-14)11-16(18)12-5-6-17-13(9-12)7-8-21-17/h5-6,9-10,16H,3-4,7-8,11,18H2,1-2H3
InChIKeyNHDJWNGLSXNQEQ-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.64
Rot. Bonds5

About 2-(1,3-diethylpyrazol-5-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine

2-(1,3-diethylpyrazol-5-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine (PubChem CID 105001631) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-(1,3-diethylpyrazol-5-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine.

Molecular Properties

Compound Name2-(1,3-diethylpyrazol-5-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine
PubChem CID105001631
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name2-(1,3-diethylpyrazol-5-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine
SMILESCCc1cc(CC(N)c2ccc3c(c2)CCO3)n(CC)n1
InChIInChI=1S/C17H23N3O/c1-3-14-10-15(20(4-2)19-14)11-16(18)12-5-6-17-13(9-12)7-8-21-17/h5-6,9-10,16H,3-4,7-8,11,18H2,1-2H3
InChIKeyNHDJWNGLSXNQEQ-UHFFFAOYSA-N
XLogP2.64
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-diethylpyrazol-5-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine
CID 105180098
1-(4-chloro-3-methylphenyl)-2-(1,3-diethylpyrazol-5-yl)ethanamine
CID 105001648
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine
CID 105034972
1-(2,3-dihydro-1-benzofuran-5-yl)pentan-1-amine;hydrochloride
CID 86262922
2-(3,4-dichlorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine
CID 63046819
1-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutan-1-amine;hydrochloride
CID 86262999
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 104999613
(1S)-1-(2,3-dihydro-1-benzofuran-5-yl)-2-fluoroethanamine;hydrochloride
CID 171202474
(2R)-2-amino-2-(2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 66513598
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanamine
CID 105019746
1-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 105180100
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(3-methylphenyl)ethanamine
CID 55068178

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-diethylpyrazol-5-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine?
The IUPAC name of 2-(1,3-diethylpyrazol-5-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine (CID 105001631) is 2-(1,3-diethylpyrazol-5-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine.
What is the SMILES notation for 2-(1,3-diethylpyrazol-5-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine?
The canonical SMILES for 2-(1,3-diethylpyrazol-5-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine is CCc1cc(CC(N)c2ccc3c(c2)CCO3)n(CC)n1.
What is the InChIKey of 2-(1,3-diethylpyrazol-5-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine?
The InChIKey is NHDJWNGLSXNQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-3-14-10-15(20(4-2)19-14)11-16(18)12-5-6-17-13(9-12)7-8-21-17/h5-6,9-10,16H,3-4,7-8,11,18H2,1-2H3.
What are the key properties of 2-(1,3-diethylpyrazol-5-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine?
2-(1,3-diethylpyrazol-5-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine has a molecular weight of 285.39 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-diethylpyrazol-5-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine is sourced from PubChem (CID 105001631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).