N-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-2-thiophen-2-ylethanamine

C18H17N3OS — CID 25285777

IUPACN-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-2-thiophen-2-ylethanamine
SMILESc1csc(CCNCc2cn[nH]c2-c2cc3ccccc3o2)c1
InChIInChI=1S/C18H17N3OS/c1-2-6-16-13(4-1)10-17(22-16)18-14(12-20-21-18)11-19-8-7-15-5-3-9-23-15/h1-6,9-10,12,19H,7-8,11H2,(H,20,21)
InChIKeyYVWNGKGPVXLVMH-UHFFFAOYSA-N
MW323.42 g/mol
LogP4.22
Rot. Bonds6

About N-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-2-thiophen-2-ylethanamine

N-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-2-thiophen-2-ylethanamine (PubChem CID 25285777) has the molecular formula C18H17N3OS and a molecular weight of 323.42 g/mol. Its IUPAC name is N-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-2-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-2-thiophen-2-ylethanamine
PubChem CID25285777
Molecular FormulaC18H17N3OS
Molecular Weight323.42 g/mol
Exact Mass323.11
IUPAC NameN-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-2-thiophen-2-ylethanamine
SMILESc1csc(CCNCc2cn[nH]c2-c2cc3ccccc3o2)c1
InChIInChI=1S/C18H17N3OS/c1-2-6-16-13(4-1)10-17(22-16)18-14(12-20-21-18)11-19-8-7-15-5-3-9-23-15/h1-6,9-10,12,19H,7-8,11H2,(H,20,21)
InChIKeyYVWNGKGPVXLVMH-UHFFFAOYSA-N
XLogP4.22
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-thiophen-2-ylmethanamine
CID 47611099
N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-2-thiophen-2-ylethanamine
CID 43763630
1-[3-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methylamino]propyl]pyrrolidin-2-one
CID 86808888
N-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanamine
CID 42290992
N-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-ethylpiperidin-4-amine
CID 47611512
3-[[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methylamino]methyl]-N-propylbenzamide
CID 47617409
2-(3-methylphenyl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]ethanamine
CID 62314088
N-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-pyrazol-1-ylpropan-2-amine
CID 166180902
3-phenyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 43233141
N-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)methanamine
CID 29151725
N-(1-benzofuran-2-ylmethyl)-1-thiophen-2-ylmethanamine
CID 28669225
3-fluoro-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 115733069

Frequently Asked Questions

What is the IUPAC name of N-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-2-thiophen-2-ylethanamine?
The IUPAC name of N-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-2-thiophen-2-ylethanamine (CID 25285777) is N-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-2-thiophen-2-ylethanamine.
What is the SMILES notation for N-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-2-thiophen-2-ylethanamine?
The canonical SMILES for N-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-2-thiophen-2-ylethanamine is c1csc(CCNCc2cn[nH]c2-c2cc3ccccc3o2)c1.
What is the InChIKey of N-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-2-thiophen-2-ylethanamine?
The InChIKey is YVWNGKGPVXLVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3OS/c1-2-6-16-13(4-1)10-17(22-16)18-14(12-20-21-18)11-19-8-7-15-5-3-9-23-15/h1-6,9-10,12,19H,7-8,11H2,(H,20,21).
What are the key properties of N-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-2-thiophen-2-ylethanamine?
N-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-2-thiophen-2-ylethanamine has a molecular weight of 323.42 g/mol, XLogP of 4.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-2-thiophen-2-ylethanamine is sourced from PubChem (CID 25285777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).