5-(5-methylfuran-2-yl)-N-[(2-methyl-5-oxo-1-phenylpyrazol-3-yl)methyl]thiophene-2-carboxamide

C21H19N3O3S — CID 167860650

IUPAC5-(5-methylfuran-2-yl)-N-[(2-methyl-5-oxo-1-phenylpyrazol-3-yl)methyl]thiophene-2-carboxamide
SMILESCc1ccc(-c2ccc(C(=O)NCc3cc(=O)n(-c4ccccc4)n3C)s2)o1
InChIInChI=1S/C21H19N3O3S/c1-14-8-9-17(27-14)18-10-11-19(28-18)21(26)22-13-16-12-20(25)24(23(16)2)15-6-4-3-5-7-15/h3-12H,13H2,1-2H3,(H,22,26)
InChIKeyDVRACEOPSJYZGC-UHFFFAOYSA-N
MW393.47 g/mol
LogP3.74
Rot. Bonds5

About 5-(5-methylfuran-2-yl)-N-[(2-methyl-5-oxo-1-phenylpyrazol-3-yl)methyl]thiophene-2-carboxamide

5-(5-methylfuran-2-yl)-N-[(2-methyl-5-oxo-1-phenylpyrazol-3-yl)methyl]thiophene-2-carboxamide (PubChem CID 167860650) has the molecular formula C21H19N3O3S and a molecular weight of 393.47 g/mol. Its IUPAC name is 5-(5-methylfuran-2-yl)-N-[(2-methyl-5-oxo-1-phenylpyrazol-3-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(5-methylfuran-2-yl)-N-[(2-methyl-5-oxo-1-phenylpyrazol-3-yl)methyl]thiophene-2-carboxamide
PubChem CID167860650
Molecular FormulaC21H19N3O3S
Molecular Weight393.47 g/mol
Exact Mass393.11
IUPAC Name5-(5-methylfuran-2-yl)-N-[(2-methyl-5-oxo-1-phenylpyrazol-3-yl)methyl]thiophene-2-carboxamide
SMILESCc1ccc(-c2ccc(C(=O)NCc3cc(=O)n(-c4ccccc4)n3C)s2)o1
InChIInChI=1S/C21H19N3O3S/c1-14-8-9-17(27-14)18-10-11-19(28-18)21(26)22-13-16-12-20(25)24(23(16)2)15-6-4-3-5-7-15/h3-12H,13H2,1-2H3,(H,22,26)
InChIKeyDVRACEOPSJYZGC-UHFFFAOYSA-N
XLogP3.74
TPSA69.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(5-methylfuran-2-yl)-N-[(2-methyl-5-oxo-1-phenylpyrazol-3-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of 5-(5-methylfuran-2-yl)-N-[(2-methyl-5-oxo-1-phenylpyrazol-3-yl)methyl]thiophene-2-carboxamide (CID 167860650) is 5-(5-methylfuran-2-yl)-N-[(2-methyl-5-oxo-1-phenylpyrazol-3-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-(5-methylfuran-2-yl)-N-[(2-methyl-5-oxo-1-phenylpyrazol-3-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-(5-methylfuran-2-yl)-N-[(2-methyl-5-oxo-1-phenylpyrazol-3-yl)methyl]thiophene-2-carboxamide is Cc1ccc(-c2ccc(C(=O)NCc3cc(=O)n(-c4ccccc4)n3C)s2)o1.
What is the InChIKey of 5-(5-methylfuran-2-yl)-N-[(2-methyl-5-oxo-1-phenylpyrazol-3-yl)methyl]thiophene-2-carboxamide?
The InChIKey is DVRACEOPSJYZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3S/c1-14-8-9-17(27-14)18-10-11-19(28-18)21(26)22-13-16-12-20(25)24(23(16)2)15-6-4-3-5-7-15/h3-12H,13H2,1-2H3,(H,22,26).
What are the key properties of 5-(5-methylfuran-2-yl)-N-[(2-methyl-5-oxo-1-phenylpyrazol-3-yl)methyl]thiophene-2-carboxamide?
5-(5-methylfuran-2-yl)-N-[(2-methyl-5-oxo-1-phenylpyrazol-3-yl)methyl]thiophene-2-carboxamide has a molecular weight of 393.47 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methylfuran-2-yl)-N-[(2-methyl-5-oxo-1-phenylpyrazol-3-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 167860650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).