N-[4-cyano-5-methyl-2-oxo-3-(trifluoromethyl)-1H-pyrrol-3-yl]furan-2-carboxamide

C12H8F3N3O3 — CID 2962360

IUPACN-[4-cyano-5-methyl-2-oxo-3-(trifluoromethyl)-1H-pyrrol-3-yl]furan-2-carboxamide
SMILESCC1=C(C#N)C(NC(=O)c2ccco2)(C(F)(F)F)C(=O)N1
InChIInChI=1S/C12H8F3N3O3/c1-6-7(5-16)11(10(20)17-6,12(13,14)15)18-9(19)8-3-2-4-21-8/h2-4H,1H3,(H,17,20)(H,18,19)
InChIKeyJORVYLXSGQOIEP-UHFFFAOYSA-N
MW299.21 g/mol
LogP1.24
Rot. Bonds2

About N-[4-cyano-5-methyl-2-oxo-3-(trifluoromethyl)-1H-pyrrol-3-yl]furan-2-carboxamide

N-[4-cyano-5-methyl-2-oxo-3-(trifluoromethyl)-1H-pyrrol-3-yl]furan-2-carboxamide (PubChem CID 2962360) has the molecular formula C12H8F3N3O3 and a molecular weight of 299.21 g/mol. Its IUPAC name is N-[4-cyano-5-methyl-2-oxo-3-(trifluoromethyl)-1H-pyrrol-3-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-cyano-5-methyl-2-oxo-3-(trifluoromethyl)-1H-pyrrol-3-yl]furan-2-carboxamide
PubChem CID2962360
Molecular FormulaC12H8F3N3O3
Molecular Weight299.21 g/mol
Exact Mass299.05
IUPAC NameN-[4-cyano-5-methyl-2-oxo-3-(trifluoromethyl)-1H-pyrrol-3-yl]furan-2-carboxamide
SMILESCC1=C(C#N)C(NC(=O)c2ccco2)(C(F)(F)F)C(=O)N1
InChIInChI=1S/C12H8F3N3O3/c1-6-7(5-16)11(10(20)17-6,12(13,14)15)18-9(19)8-3-2-4-21-8/h2-4H,1H3,(H,17,20)(H,18,19)
InChIKeyJORVYLXSGQOIEP-UHFFFAOYSA-N
XLogP1.24
TPSA95.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-cyano-5-methyl-2-oxo-3-(trifluoromethyl)-1H-pyrrol-3-yl]furan-2-carboxamide?
The IUPAC name of N-[4-cyano-5-methyl-2-oxo-3-(trifluoromethyl)-1H-pyrrol-3-yl]furan-2-carboxamide (CID 2962360) is N-[4-cyano-5-methyl-2-oxo-3-(trifluoromethyl)-1H-pyrrol-3-yl]furan-2-carboxamide.
What is the SMILES notation for N-[4-cyano-5-methyl-2-oxo-3-(trifluoromethyl)-1H-pyrrol-3-yl]furan-2-carboxamide?
The canonical SMILES for N-[4-cyano-5-methyl-2-oxo-3-(trifluoromethyl)-1H-pyrrol-3-yl]furan-2-carboxamide is CC1=C(C#N)C(NC(=O)c2ccco2)(C(F)(F)F)C(=O)N1.
What is the InChIKey of N-[4-cyano-5-methyl-2-oxo-3-(trifluoromethyl)-1H-pyrrol-3-yl]furan-2-carboxamide?
The InChIKey is JORVYLXSGQOIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3N3O3/c1-6-7(5-16)11(10(20)17-6,12(13,14)15)18-9(19)8-3-2-4-21-8/h2-4H,1H3,(H,17,20)(H,18,19).
What are the key properties of N-[4-cyano-5-methyl-2-oxo-3-(trifluoromethyl)-1H-pyrrol-3-yl]furan-2-carboxamide?
N-[4-cyano-5-methyl-2-oxo-3-(trifluoromethyl)-1H-pyrrol-3-yl]furan-2-carboxamide has a molecular weight of 299.21 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyano-5-methyl-2-oxo-3-(trifluoromethyl)-1H-pyrrol-3-yl]furan-2-carboxamide is sourced from PubChem (CID 2962360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).