1-(furan-2-yl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine

C13H13N3OS — CID 43233165

IUPAC1-(furan-2-yl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine
SMILESc1coc(CNCc2cn[nH]c2-c2cccs2)c1
InChIInChI=1S/C13H13N3OS/c1-3-11(17-5-1)9-14-7-10-8-15-16-13(10)12-4-2-6-18-12/h1-6,8,14H,7,9H2,(H,15,16)
InChIKeyXNEJLJBDAYYESO-UHFFFAOYSA-N
MW259.33 g/mol
LogP3.02
Rot. Bonds5

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

1-(furan-2-yl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine (PubChem CID 43233165) has the molecular formula C13H13N3OS and a molecular weight of 259.33 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(furan-2-yl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine
PubChem CID43233165
Molecular FormulaC13H13N3OS
Molecular Weight259.33 g/mol
Exact Mass259.08
IUPAC Name1-(furan-2-yl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine
SMILESc1coc(CNCc2cn[nH]c2-c2cccs2)c1
InChIInChI=1S/C13H13N3OS/c1-3-11(17-5-1)9-14-7-10-8-15-16-13(10)12-4-2-6-18-12/h1-6,8,14H,7,9H2,(H,15,16)
InChIKeyXNEJLJBDAYYESO-UHFFFAOYSA-N
XLogP3.02
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(furan-2-yl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine (CID 43233165) is 1-(furan-2-yl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(furan-2-yl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(furan-2-yl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine is c1coc(CNCc2cn[nH]c2-c2cccs2)c1.
What is the InChIKey of 1-(furan-2-yl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine?
The InChIKey is XNEJLJBDAYYESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3OS/c1-3-11(17-5-1)9-14-7-10-8-15-16-13(10)12-4-2-6-18-12/h1-6,8,14H,7,9H2,(H,15,16).
What are the key properties of 1-(furan-2-yl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine?
1-(furan-2-yl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine has a molecular weight of 259.33 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine is sourced from PubChem (CID 43233165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).