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

C21H18FN3O2S — CID 20886600

IUPAC1-[(4-fluorophenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]-3-thiophen-2-ylpyrazole-5-carboxamide
SMILESCc1ccc(CNC(=O)c2cc(-c3cccs3)nn2Cc2ccc(F)cc2)o1
InChIInChI=1S/C21H18FN3O2S/c1-14-4-9-17(27-14)12-23-21(26)19-11-18(20-3-2-10-28-20)24-25(19)13-15-5-7-16(22)8-6-15/h2-11H,12-13H2,1H3,(H,23,26)
InChIKeyQBFYOARFGHXPLT-UHFFFAOYSA-N
MW395.46 g/mol
LogP4.63
Rot. Bonds6

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

1-[(4-fluorophenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]-3-thiophen-2-ylpyrazole-5-carboxamide (PubChem CID 20886600) has the molecular formula C21H18FN3O2S and a molecular weight of 395.46 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]-3-thiophen-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]-3-thiophen-2-ylpyrazole-5-carboxamide
PubChem CID20886600
Molecular FormulaC21H18FN3O2S
Molecular Weight395.46 g/mol
Exact Mass395.11
IUPAC Name1-[(4-fluorophenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]-3-thiophen-2-ylpyrazole-5-carboxamide
SMILESCc1ccc(CNC(=O)c2cc(-c3cccs3)nn2Cc2ccc(F)cc2)o1
InChIInChI=1S/C21H18FN3O2S/c1-14-4-9-17(27-14)12-23-21(26)19-11-18(20-3-2-10-28-20)24-25(19)13-15-5-7-16(22)8-6-15/h2-11H,12-13H2,1H3,(H,23,26)
InChIKeyQBFYOARFGHXPLT-UHFFFAOYSA-N
XLogP4.63
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]-3-thiophen-2-ylpyrazole-5-carboxamide?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]-3-thiophen-2-ylpyrazole-5-carboxamide (CID 20886600) is 1-[(4-fluorophenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]-3-thiophen-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]-3-thiophen-2-ylpyrazole-5-carboxamide?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]-3-thiophen-2-ylpyrazole-5-carboxamide is Cc1ccc(CNC(=O)c2cc(-c3cccs3)nn2Cc2ccc(F)cc2)o1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]-3-thiophen-2-ylpyrazole-5-carboxamide?
The InChIKey is QBFYOARFGHXPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O2S/c1-14-4-9-17(27-14)12-23-21(26)19-11-18(20-3-2-10-28-20)24-25(19)13-15-5-7-16(22)8-6-15/h2-11H,12-13H2,1H3,(H,23,26).
What are the key properties of 1-[(4-fluorophenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]-3-thiophen-2-ylpyrazole-5-carboxamide?
1-[(4-fluorophenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]-3-thiophen-2-ylpyrazole-5-carboxamide has a molecular weight of 395.46 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]-3-thiophen-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 20886600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).