N-[2-(furan-2-yl)ethyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide

C20H17N3O2S — CID 9405347

IUPACN-[2-(furan-2-yl)ethyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
SMILESO=C(NCCc1ccco1)c1cc(-c2cccs2)nn1-c1ccccc1
InChIInChI=1S/C20H17N3O2S/c24-20(21-11-10-16-8-4-12-25-16)18-14-17(19-9-5-13-26-19)22-23(18)15-6-2-1-3-7-15/h1-9,12-14H,10-11H2,(H,21,24)
InChIKeyZJBAXEYJVPTFDI-UHFFFAOYSA-N
MW363.44 g/mol
LogP4.17
Rot. Bonds6

About N-[2-(furan-2-yl)ethyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide

N-[2-(furan-2-yl)ethyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide (PubChem CID 9405347) has the molecular formula C20H17N3O2S and a molecular weight of 363.44 g/mol. Its IUPAC name is N-[2-(furan-2-yl)ethyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)ethyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
PubChem CID9405347
Molecular FormulaC20H17N3O2S
Molecular Weight363.44 g/mol
Exact Mass363.10
IUPAC NameN-[2-(furan-2-yl)ethyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
SMILESO=C(NCCc1ccco1)c1cc(-c2cccs2)nn1-c1ccccc1
InChIInChI=1S/C20H17N3O2S/c24-20(21-11-10-16-8-4-12-25-16)18-14-17(19-9-5-13-26-19)22-23(18)15-6-2-1-3-7-15/h1-9,12-14H,10-11H2,(H,21,24)
InChIKeyZJBAXEYJVPTFDI-UHFFFAOYSA-N
XLogP4.17
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)ethyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide?
The IUPAC name of N-[2-(furan-2-yl)ethyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide (CID 9405347) is N-[2-(furan-2-yl)ethyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for N-[2-(furan-2-yl)ethyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide?
The canonical SMILES for N-[2-(furan-2-yl)ethyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide is O=C(NCCc1ccco1)c1cc(-c2cccs2)nn1-c1ccccc1.
What is the InChIKey of N-[2-(furan-2-yl)ethyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide?
The InChIKey is ZJBAXEYJVPTFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2S/c24-20(21-11-10-16-8-4-12-25-16)18-14-17(19-9-5-13-26-19)22-23(18)15-6-2-1-3-7-15/h1-9,12-14H,10-11H2,(H,21,24).
What are the key properties of N-[2-(furan-2-yl)ethyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide?
N-[2-(furan-2-yl)ethyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide has a molecular weight of 363.44 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)ethyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 9405347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).