N-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)furan-2-carboxamide

C18H13N3O2S — CID 2110833

IUPACN-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)furan-2-carboxamide
SMILESO=C(Nc1cn(-c2ccccc2)nc1-c1cccs1)c1ccco1
InChIInChI=1S/C18H13N3O2S/c22-18(15-8-4-10-23-15)19-14-12-21(13-6-2-1-3-7-13)20-17(14)16-9-5-11-24-16/h1-12H,(H,19,22)
InChIKeyPDOHAZQHURJVQL-UHFFFAOYSA-N
MW335.39 g/mol
LogP4.45
Rot. Bonds4

About N-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)furan-2-carboxamide

N-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)furan-2-carboxamide (PubChem CID 2110833) has the molecular formula C18H13N3O2S and a molecular weight of 335.39 g/mol. Its IUPAC name is N-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)furan-2-carboxamide
PubChem CID2110833
Molecular FormulaC18H13N3O2S
Molecular Weight335.39 g/mol
Exact Mass335.07
IUPAC NameN-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)furan-2-carboxamide
SMILESO=C(Nc1cn(-c2ccccc2)nc1-c1cccs1)c1ccco1
InChIInChI=1S/C18H13N3O2S/c22-18(15-8-4-10-23-15)19-14-12-21(13-6-2-1-3-7-13)20-17(14)16-9-5-11-24-16/h1-12H,(H,19,22)
InChIKeyPDOHAZQHURJVQL-UHFFFAOYSA-N
XLogP4.45
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)furan-2-carboxamide?
The IUPAC name of N-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)furan-2-carboxamide (CID 2110833) is N-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)furan-2-carboxamide.
What is the SMILES notation for N-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)furan-2-carboxamide?
The canonical SMILES for N-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)furan-2-carboxamide is O=C(Nc1cn(-c2ccccc2)nc1-c1cccs1)c1ccco1.
What is the InChIKey of N-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)furan-2-carboxamide?
The InChIKey is PDOHAZQHURJVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O2S/c22-18(15-8-4-10-23-15)19-14-12-21(13-6-2-1-3-7-13)20-17(14)16-9-5-11-24-16/h1-12H,(H,19,22).
What are the key properties of N-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)furan-2-carboxamide?
N-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)furan-2-carboxamide has a molecular weight of 335.39 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)furan-2-carboxamide is sourced from PubChem (CID 2110833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).