N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-1-(1H-pyrazol-4-yl)ethanamine

C17H21N3O — CID 103922087

IUPACN-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-1-(1H-pyrazol-4-yl)ethanamine
SMILESCCc1c(C(C)NC(C)c2cn[nH]c2)oc2ccccc12
InChIInChI=1S/C17H21N3O/c1-4-14-15-7-5-6-8-16(15)21-17(14)12(3)20-11(2)13-9-18-19-10-13/h5-12,20H,4H2,1-3H3,(H,18,19)
InChIKeyHMPYREPLTGUXMX-UHFFFAOYSA-N
MW283.37 g/mol
LogP4.13
Rot. Bonds5

About N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-1-(1H-pyrazol-4-yl)ethanamine

N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-1-(1H-pyrazol-4-yl)ethanamine (PubChem CID 103922087) has the molecular formula C17H21N3O and a molecular weight of 283.37 g/mol. Its IUPAC name is N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-1-(1H-pyrazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-1-(1H-pyrazol-4-yl)ethanamine
PubChem CID103922087
Molecular FormulaC17H21N3O
Molecular Weight283.37 g/mol
Exact Mass283.17
IUPAC NameN-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-1-(1H-pyrazol-4-yl)ethanamine
SMILESCCc1c(C(C)NC(C)c2cn[nH]c2)oc2ccccc12
InChIInChI=1S/C17H21N3O/c1-4-14-15-7-5-6-8-16(15)21-17(14)12(3)20-11(2)13-9-18-19-10-13/h5-12,20H,4H2,1-3H3,(H,18,19)
InChIKeyHMPYREPLTGUXMX-UHFFFAOYSA-N
XLogP4.13
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[1-(3-ethyl-1-benzofuran-2-yl)ethylamino]propanoate
CID 61498346
1-(1-benzofuran-2-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanamine
CID 103905207
N',N'-diethyl-N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]ethane-1,2-diamine
CID 43108977
2-[2-[1-(3-ethyl-1-benzofuran-2-yl)ethylamino]ethoxy]ethanol
CID 43207567
N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-2,2,2-trifluoroethanamine
CID 43099760
1-(3-ethyl-1-benzofuran-2-yl)-N-(pyridin-4-ylmethyl)ethanamine
CID 43204821
2-[1-(3-ethyl-1-benzofuran-2-yl)ethylamino]ethanesulfonamide
CID 43551834
1-(3-ethyl-1-benzofuran-2-yl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 63001771
N-[1-(1H-pyrazol-4-yl)ethyl]butan-2-amine
CID 103905105
(1R)-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-pyridin-3-ylethanamine
CID 81393232
3-[1-(3-ethyl-1-benzofuran-2-yl)ethylamino]-1,1,1-trifluoropropan-2-ol
CID 103921055
1-(3-ethyl-1-benzofuran-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 61281276

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-1-(1H-pyrazol-4-yl)ethanamine?
The IUPAC name of N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-1-(1H-pyrazol-4-yl)ethanamine (CID 103922087) is N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-1-(1H-pyrazol-4-yl)ethanamine.
What is the SMILES notation for N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-1-(1H-pyrazol-4-yl)ethanamine?
The canonical SMILES for N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-1-(1H-pyrazol-4-yl)ethanamine is CCc1c(C(C)NC(C)c2cn[nH]c2)oc2ccccc12.
What is the InChIKey of N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-1-(1H-pyrazol-4-yl)ethanamine?
The InChIKey is HMPYREPLTGUXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-4-14-15-7-5-6-8-16(15)21-17(14)12(3)20-11(2)13-9-18-19-10-13/h5-12,20H,4H2,1-3H3,(H,18,19).
What are the key properties of N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-1-(1H-pyrazol-4-yl)ethanamine?
N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-1-(1H-pyrazol-4-yl)ethanamine has a molecular weight of 283.37 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-1-(1H-pyrazol-4-yl)ethanamine is sourced from PubChem (CID 103922087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).