5-(4-chlorophenyl)-N-[1-(4-fluorophenyl)-3-thiophen-2-ylpyrazol-5-yl]-2-methylfuran-3-carboxamide

C25H17ClFN3O2S — CID 2742756

IUPAC5-(4-chlorophenyl)-N-[1-(4-fluorophenyl)-3-thiophen-2-ylpyrazol-5-yl]-2-methylfuran-3-carboxamide
SMILESCc1oc(-c2ccc(Cl)cc2)cc1C(=O)Nc1cc(-c2cccs2)nn1-c1ccc(F)cc1
InChIInChI=1S/C25H17ClFN3O2S/c1-15-20(13-22(32-15)16-4-6-17(26)7-5-16)25(31)28-24-14-21(23-3-2-12-33-23)29-30(24)19-10-8-18(27)9-11-19/h2-14H,1H3,(H,28,31)
InChIKeyDFCGCYQQILEKNZ-UHFFFAOYSA-N
MW477.95 g/mol
LogP7.21
Rot. Bonds5

About 5-(4-chlorophenyl)-N-[1-(4-fluorophenyl)-3-thiophen-2-ylpyrazol-5-yl]-2-methylfuran-3-carboxamide

5-(4-chlorophenyl)-N-[1-(4-fluorophenyl)-3-thiophen-2-ylpyrazol-5-yl]-2-methylfuran-3-carboxamide (PubChem CID 2742756) has the molecular formula C25H17ClFN3O2S and a molecular weight of 477.95 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-[1-(4-fluorophenyl)-3-thiophen-2-ylpyrazol-5-yl]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-[1-(4-fluorophenyl)-3-thiophen-2-ylpyrazol-5-yl]-2-methylfuran-3-carboxamide
PubChem CID2742756
Molecular FormulaC25H17ClFN3O2S
Molecular Weight477.95 g/mol
Exact Mass477.07
IUPAC Name5-(4-chlorophenyl)-N-[1-(4-fluorophenyl)-3-thiophen-2-ylpyrazol-5-yl]-2-methylfuran-3-carboxamide
SMILESCc1oc(-c2ccc(Cl)cc2)cc1C(=O)Nc1cc(-c2cccs2)nn1-c1ccc(F)cc1
InChIInChI=1S/C25H17ClFN3O2S/c1-15-20(13-22(32-15)16-4-6-17(26)7-5-16)25(31)28-24-14-21(23-3-2-12-33-23)29-30(24)19-10-8-18(27)9-11-19/h2-14H,1H3,(H,28,31)
InChIKeyDFCGCYQQILEKNZ-UHFFFAOYSA-N
XLogP7.21
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.95
LogP ≤ 57.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-[1-(4-fluorophenyl)-3-thiophen-2-ylpyrazol-5-yl]-2-methylfuran-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-[1-(4-fluorophenyl)-3-thiophen-2-ylpyrazol-5-yl]-2-methylfuran-3-carboxamide (CID 2742756) is 5-(4-chlorophenyl)-N-[1-(4-fluorophenyl)-3-thiophen-2-ylpyrazol-5-yl]-2-methylfuran-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-[1-(4-fluorophenyl)-3-thiophen-2-ylpyrazol-5-yl]-2-methylfuran-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-[1-(4-fluorophenyl)-3-thiophen-2-ylpyrazol-5-yl]-2-methylfuran-3-carboxamide is Cc1oc(-c2ccc(Cl)cc2)cc1C(=O)Nc1cc(-c2cccs2)nn1-c1ccc(F)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-N-[1-(4-fluorophenyl)-3-thiophen-2-ylpyrazol-5-yl]-2-methylfuran-3-carboxamide?
The InChIKey is DFCGCYQQILEKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17ClFN3O2S/c1-15-20(13-22(32-15)16-4-6-17(26)7-5-16)25(31)28-24-14-21(23-3-2-12-33-23)29-30(24)19-10-8-18(27)9-11-19/h2-14H,1H3,(H,28,31).
What are the key properties of 5-(4-chlorophenyl)-N-[1-(4-fluorophenyl)-3-thiophen-2-ylpyrazol-5-yl]-2-methylfuran-3-carboxamide?
5-(4-chlorophenyl)-N-[1-(4-fluorophenyl)-3-thiophen-2-ylpyrazol-5-yl]-2-methylfuran-3-carboxamide has a molecular weight of 477.95 g/mol, XLogP of 7.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-[1-(4-fluorophenyl)-3-thiophen-2-ylpyrazol-5-yl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 2742756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).