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

C15H17N3OS — CID 43763630

IUPACN-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-2-thiophen-2-ylethanamine
SMILESCc1ccc(-c2[nH]ncc2CNCCc2cccs2)o1
InChIInChI=1S/C15H17N3OS/c1-11-4-5-14(19-11)15-12(10-17-18-15)9-16-7-6-13-3-2-8-20-13/h2-5,8,10,16H,6-7,9H2,1H3,(H,17,18)
InChIKeyOGGWOWOKSYZMJQ-UHFFFAOYSA-N
MW287.39 g/mol
LogP3.37
Rot. Bonds6

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

N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-2-thiophen-2-ylethanamine (PubChem CID 43763630) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-2-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-2-thiophen-2-ylethanamine
PubChem CID43763630
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC NameN-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-2-thiophen-2-ylethanamine
SMILESCc1ccc(-c2[nH]ncc2CNCCc2cccs2)o1
InChIInChI=1S/C15H17N3OS/c1-11-4-5-14(19-11)15-12(10-17-18-15)9-16-7-6-13-3-2-8-20-13/h2-5,8,10,16H,6-7,9H2,1H3,(H,17,18)
InChIKeyOGGWOWOKSYZMJQ-UHFFFAOYSA-N
XLogP3.37
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 53.37
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]-2-thiophen-2-ylethanamine
CID 25285777
N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-[1-(thiophen-2-ylmethyl)piperidin-3-yl]methanamine
CID 49250862
2-[2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]ethoxy]ethanol
CID 43771485
2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]acetic acid
CID 43774244
1-(4-fluorophenyl)-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]methanamine
CID 43433346
2-(2,2-difluoroethoxy)-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]ethanamine
CID 103081047
N'-methyl-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-N'-phenylbutane-1,4-diamine
CID 47620873
2,2-dimethoxy-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]ethanamine
CID 60817298
N-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-thiophen-2-ylmethanamine
CID 47611099
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1-[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methanamine
CID 119123807
2-methyl-1-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]butan-2-ol
CID 63680783
2,2-dimethyl-3-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]propanenitrile
CID 104587090

Frequently Asked Questions

What is the IUPAC name of N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-2-thiophen-2-ylethanamine?
The IUPAC name of N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-2-thiophen-2-ylethanamine (CID 43763630) is N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-2-thiophen-2-ylethanamine.
What is the SMILES notation for N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-2-thiophen-2-ylethanamine?
The canonical SMILES for N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-2-thiophen-2-ylethanamine is Cc1ccc(-c2[nH]ncc2CNCCc2cccs2)o1.
What is the InChIKey of N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-2-thiophen-2-ylethanamine?
The InChIKey is OGGWOWOKSYZMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-11-4-5-14(19-11)15-12(10-17-18-15)9-16-7-6-13-3-2-8-20-13/h2-5,8,10,16H,6-7,9H2,1H3,(H,17,18).
What are the key properties of N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-2-thiophen-2-ylethanamine?
N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-2-thiophen-2-ylethanamine has a molecular weight of 287.39 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-2-thiophen-2-ylethanamine is sourced from PubChem (CID 43763630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).