4-phenyl-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]oxane-4-carboxamide

C21H23N3O2S — CID 71808144

IUPAC4-phenyl-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]oxane-4-carboxamide
SMILESO=C(NCCn1ccc(-c2cccs2)n1)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C21H23N3O2S/c25-20(21(9-14-26-15-10-21)17-5-2-1-3-6-17)22-11-13-24-12-8-18(23-24)19-7-4-16-27-19/h1-8,12,16H,9-11,13-15H2,(H,22,25)
InChIKeyUWKZPTIKGVWIHJ-UHFFFAOYSA-N
MW381.50 g/mol
LogP3.48
Rot. Bonds6

About 4-phenyl-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]oxane-4-carboxamide

4-phenyl-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]oxane-4-carboxamide (PubChem CID 71808144) has the molecular formula C21H23N3O2S and a molecular weight of 381.50 g/mol. Its IUPAC name is 4-phenyl-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-phenyl-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]oxane-4-carboxamide
PubChem CID71808144
Molecular FormulaC21H23N3O2S
Molecular Weight381.50 g/mol
Exact Mass381.15
IUPAC Name4-phenyl-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]oxane-4-carboxamide
SMILESO=C(NCCn1ccc(-c2cccs2)n1)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C21H23N3O2S/c25-20(21(9-14-26-15-10-21)17-5-2-1-3-6-17)22-11-13-24-12-8-18(23-24)19-7-4-16-27-19/h1-8,12,16H,9-11,13-15H2,(H,22,25)
InChIKeyUWKZPTIKGVWIHJ-UHFFFAOYSA-N
XLogP3.48
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]oxane-4-carboxamide?
The IUPAC name of 4-phenyl-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]oxane-4-carboxamide (CID 71808144) is 4-phenyl-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]oxane-4-carboxamide.
What is the SMILES notation for 4-phenyl-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]oxane-4-carboxamide?
The canonical SMILES for 4-phenyl-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]oxane-4-carboxamide is O=C(NCCn1ccc(-c2cccs2)n1)C1(c2ccccc2)CCOCC1.
What is the InChIKey of 4-phenyl-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]oxane-4-carboxamide?
The InChIKey is UWKZPTIKGVWIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2S/c25-20(21(9-14-26-15-10-21)17-5-2-1-3-6-17)22-11-13-24-12-8-18(23-24)19-7-4-16-27-19/h1-8,12,16H,9-11,13-15H2,(H,22,25).
What are the key properties of 4-phenyl-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]oxane-4-carboxamide?
4-phenyl-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]oxane-4-carboxamide has a molecular weight of 381.50 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]oxane-4-carboxamide is sourced from PubChem (CID 71808144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).