N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]furan-3-carboxamide

C15H15N3O2S — CID 86266262

IUPACN-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]furan-3-carboxamide
SMILESCc1cc(-c2cccs2)nn1CCNC(=O)c1ccoc1
InChIInChI=1S/C15H15N3O2S/c1-11-9-13(14-3-2-8-21-14)17-18(11)6-5-16-15(19)12-4-7-20-10-12/h2-4,7-10H,5-6H2,1H3,(H,16,19)
InChIKeyLCFDQTZOCYYDOA-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.94
Rot. Bonds5

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

N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]furan-3-carboxamide (PubChem CID 86266262) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]furan-3-carboxamide
PubChem CID86266262
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC NameN-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]furan-3-carboxamide
SMILESCc1cc(-c2cccs2)nn1CCNC(=O)c1ccoc1
InChIInChI=1S/C15H15N3O2S/c1-11-9-13(14-3-2-8-21-14)17-18(11)6-5-16-15(19)12-4-7-20-10-12/h2-4,7-10H,5-6H2,1H3,(H,16,19)
InChIKeyLCFDQTZOCYYDOA-UHFFFAOYSA-N
XLogP2.94
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]furan-3-carboxamide?
The IUPAC name of N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]furan-3-carboxamide (CID 86266262) is N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]furan-3-carboxamide.
What is the SMILES notation for N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]furan-3-carboxamide?
The canonical SMILES for N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]furan-3-carboxamide is Cc1cc(-c2cccs2)nn1CCNC(=O)c1ccoc1.
What is the InChIKey of N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]furan-3-carboxamide?
The InChIKey is LCFDQTZOCYYDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-11-9-13(14-3-2-8-21-14)17-18(11)6-5-16-15(19)12-4-7-20-10-12/h2-4,7-10H,5-6H2,1H3,(H,16,19).
What are the key properties of N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]furan-3-carboxamide?
N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]furan-3-carboxamide has a molecular weight of 301.37 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]furan-3-carboxamide is sourced from PubChem (CID 86266262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).