N-[2-[4-(furan-2-yl)pyrazol-1-yl]ethyl]-2-thiophen-3-ylacetamide

C15H15N3O2S — CID 122244609

IUPACN-[2-[4-(furan-2-yl)pyrazol-1-yl]ethyl]-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)NCCn1cc(-c2ccco2)cn1
InChIInChI=1S/C15H15N3O2S/c19-15(8-12-3-7-21-11-12)16-4-5-18-10-13(9-17-18)14-2-1-6-20-14/h1-3,6-7,9-11H,4-5,8H2,(H,16,19)
InChIKeyHZAKTGICTKVGLZ-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.56
Rot. Bonds6

About N-[2-[4-(furan-2-yl)pyrazol-1-yl]ethyl]-2-thiophen-3-ylacetamide

N-[2-[4-(furan-2-yl)pyrazol-1-yl]ethyl]-2-thiophen-3-ylacetamide (PubChem CID 122244609) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is N-[2-[4-(furan-2-yl)pyrazol-1-yl]ethyl]-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-[2-[4-(furan-2-yl)pyrazol-1-yl]ethyl]-2-thiophen-3-ylacetamide
PubChem CID122244609
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC NameN-[2-[4-(furan-2-yl)pyrazol-1-yl]ethyl]-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)NCCn1cc(-c2ccco2)cn1
InChIInChI=1S/C15H15N3O2S/c19-15(8-12-3-7-21-11-12)16-4-5-18-10-13(9-17-18)14-2-1-6-20-14/h1-3,6-7,9-11H,4-5,8H2,(H,16,19)
InChIKeyHZAKTGICTKVGLZ-UHFFFAOYSA-N
XLogP2.56
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(furan-2-yl)pyrazol-1-yl]ethyl]-2-thiophen-3-ylacetamide?
The IUPAC name of N-[2-[4-(furan-2-yl)pyrazol-1-yl]ethyl]-2-thiophen-3-ylacetamide (CID 122244609) is N-[2-[4-(furan-2-yl)pyrazol-1-yl]ethyl]-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-[2-[4-(furan-2-yl)pyrazol-1-yl]ethyl]-2-thiophen-3-ylacetamide?
The canonical SMILES for N-[2-[4-(furan-2-yl)pyrazol-1-yl]ethyl]-2-thiophen-3-ylacetamide is O=C(Cc1ccsc1)NCCn1cc(-c2ccco2)cn1.
What is the InChIKey of N-[2-[4-(furan-2-yl)pyrazol-1-yl]ethyl]-2-thiophen-3-ylacetamide?
The InChIKey is HZAKTGICTKVGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c19-15(8-12-3-7-21-11-12)16-4-5-18-10-13(9-17-18)14-2-1-6-20-14/h1-3,6-7,9-11H,4-5,8H2,(H,16,19).
What are the key properties of N-[2-[4-(furan-2-yl)pyrazol-1-yl]ethyl]-2-thiophen-3-ylacetamide?
N-[2-[4-(furan-2-yl)pyrazol-1-yl]ethyl]-2-thiophen-3-ylacetamide has a molecular weight of 301.37 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(furan-2-yl)pyrazol-1-yl]ethyl]-2-thiophen-3-ylacetamide is sourced from PubChem (CID 122244609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).