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

C22H20FN3O2S — CID 20886599

IUPAC1-[(4-fluorophenyl)methyl]-N-[1-(furan-2-yl)propan-2-yl]-3-thiophen-2-ylpyrazole-5-carboxamide
SMILESCC(Cc1ccco1)NC(=O)c1cc(-c2cccs2)nn1Cc1ccc(F)cc1
InChIInChI=1S/C22H20FN3O2S/c1-15(12-18-4-2-10-28-18)24-22(27)20-13-19(21-5-3-11-29-21)25-26(20)14-16-6-8-17(23)9-7-16/h2-11,13,15H,12,14H2,1H3,(H,24,27)
InChIKeyWOQVJRCJBUTGQD-UHFFFAOYSA-N
MW409.49 g/mol
LogP4.75
Rot. Bonds7

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

1-[(4-fluorophenyl)methyl]-N-[1-(furan-2-yl)propan-2-yl]-3-thiophen-2-ylpyrazole-5-carboxamide (PubChem CID 20886599) has the molecular formula C22H20FN3O2S and a molecular weight of 409.49 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-N-[1-(furan-2-yl)propan-2-yl]-3-thiophen-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-N-[1-(furan-2-yl)propan-2-yl]-3-thiophen-2-ylpyrazole-5-carboxamide
PubChem CID20886599
Molecular FormulaC22H20FN3O2S
Molecular Weight409.49 g/mol
Exact Mass409.13
IUPAC Name1-[(4-fluorophenyl)methyl]-N-[1-(furan-2-yl)propan-2-yl]-3-thiophen-2-ylpyrazole-5-carboxamide
SMILESCC(Cc1ccco1)NC(=O)c1cc(-c2cccs2)nn1Cc1ccc(F)cc1
InChIInChI=1S/C22H20FN3O2S/c1-15(12-18-4-2-10-28-18)24-22(27)20-13-19(21-5-3-11-29-21)25-26(20)14-16-6-8-17(23)9-7-16/h2-11,13,15H,12,14H2,1H3,(H,24,27)
InChIKeyWOQVJRCJBUTGQD-UHFFFAOYSA-N
XLogP4.75
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 54.75
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-[1-(furan-2-yl)propan-2-yl]-3-thiophen-2-ylpyrazole-5-carboxamide?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-N-[1-(furan-2-yl)propan-2-yl]-3-thiophen-2-ylpyrazole-5-carboxamide (CID 20886599) is 1-[(4-fluorophenyl)methyl]-N-[1-(furan-2-yl)propan-2-yl]-3-thiophen-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-N-[1-(furan-2-yl)propan-2-yl]-3-thiophen-2-ylpyrazole-5-carboxamide?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-N-[1-(furan-2-yl)propan-2-yl]-3-thiophen-2-ylpyrazole-5-carboxamide is CC(Cc1ccco1)NC(=O)c1cc(-c2cccs2)nn1Cc1ccc(F)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-N-[1-(furan-2-yl)propan-2-yl]-3-thiophen-2-ylpyrazole-5-carboxamide?
The InChIKey is WOQVJRCJBUTGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O2S/c1-15(12-18-4-2-10-28-18)24-22(27)20-13-19(21-5-3-11-29-21)25-26(20)14-16-6-8-17(23)9-7-16/h2-11,13,15H,12,14H2,1H3,(H,24,27).
What are the key properties of 1-[(4-fluorophenyl)methyl]-N-[1-(furan-2-yl)propan-2-yl]-3-thiophen-2-ylpyrazole-5-carboxamide?
1-[(4-fluorophenyl)methyl]-N-[1-(furan-2-yl)propan-2-yl]-3-thiophen-2-ylpyrazole-5-carboxamide has a molecular weight of 409.49 g/mol, XLogP of 4.75, 7 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-[1-(furan-2-yl)propan-2-yl]-3-thiophen-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 20886599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).