2-(2-fluorophenyl)-N-[2-(3-pyridin-3-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide

C22H19FN4OS — CID 92572526

IUPAC2-(2-fluorophenyl)-N-[2-(3-pyridin-3-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide
SMILESO=C(Cc1ccccc1F)NCCn1nc(-c2cccnc2)cc1-c1cccs1
InChIInChI=1S/C22H19FN4OS/c23-18-7-2-1-5-16(18)13-22(28)25-10-11-27-20(21-8-4-12-29-21)14-19(26-27)17-6-3-9-24-15-17/h1-9,12,14-15H,10-11,13H2,(H,25,28)
InChIKeyPDKXOCIDZOICNB-UHFFFAOYSA-N
MW406.49 g/mol
LogP4.17
Rot. Bonds7

About 2-(2-fluorophenyl)-N-[2-(3-pyridin-3-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide

2-(2-fluorophenyl)-N-[2-(3-pyridin-3-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide (PubChem CID 92572526) has the molecular formula C22H19FN4OS and a molecular weight of 406.49 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-[2-(3-pyridin-3-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-[2-(3-pyridin-3-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide
PubChem CID92572526
Molecular FormulaC22H19FN4OS
Molecular Weight406.49 g/mol
Exact Mass406.13
IUPAC Name2-(2-fluorophenyl)-N-[2-(3-pyridin-3-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide
SMILESO=C(Cc1ccccc1F)NCCn1nc(-c2cccnc2)cc1-c1cccs1
InChIInChI=1S/C22H19FN4OS/c23-18-7-2-1-5-16(18)13-22(28)25-10-11-27-20(21-8-4-12-29-21)14-19(26-27)17-6-3-9-24-15-17/h1-9,12,14-15H,10-11,13H2,(H,25,28)
InChIKeyPDKXOCIDZOICNB-UHFFFAOYSA-N
XLogP4.17
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-fluorophenyl)-N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide
CID 92572524
N-[2-[3-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]-2-(2-methoxyphenyl)acetamide
CID 92601561
2-(2-fluorophenyl)-N-(3-pyridin-3-yl-1,2-oxazol-5-yl)acetamide
CID 53143060
N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2-phenylacetamide
CID 121169714
N-[2-[3-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]-2-methoxypyrimidine-5-carboxamide
CID 92602574
N-[2-[3-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 92581052
2-(2,4-difluorophenyl)-N-[2-(3,5-dimethyl-4-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide
CID 122244550
N-[(2-fluorophenyl)methyl]-1-[(4-fluorophenyl)methyl]-3-thiophen-2-ylpyrazole-5-carboxamide
CID 20886591
2-cyclopent-2-en-1-yl-N-[2-[3-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-1-yl]ethyl]acetamide
CID 110217969
2-(2,4-difluorophenyl)-N-[(2-pyridin-3-ylphenyl)methyl]acetamide
CID 166339826
2-fluoro-N-[2-(4-pyrazin-2-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide
CID 92572426
3-fluoro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzamide
CID 16905666

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-[2-(3-pyridin-3-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide?
The IUPAC name of 2-(2-fluorophenyl)-N-[2-(3-pyridin-3-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide (CID 92572526) is 2-(2-fluorophenyl)-N-[2-(3-pyridin-3-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2-fluorophenyl)-N-[2-(3-pyridin-3-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(2-fluorophenyl)-N-[2-(3-pyridin-3-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide is O=C(Cc1ccccc1F)NCCn1nc(-c2cccnc2)cc1-c1cccs1.
What is the InChIKey of 2-(2-fluorophenyl)-N-[2-(3-pyridin-3-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide?
The InChIKey is PDKXOCIDZOICNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4OS/c23-18-7-2-1-5-16(18)13-22(28)25-10-11-27-20(21-8-4-12-29-21)14-19(26-27)17-6-3-9-24-15-17/h1-9,12,14-15H,10-11,13H2,(H,25,28).
What are the key properties of 2-(2-fluorophenyl)-N-[2-(3-pyridin-3-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide?
2-(2-fluorophenyl)-N-[2-(3-pyridin-3-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide has a molecular weight of 406.49 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-[2-(3-pyridin-3-yl-5-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide is sourced from PubChem (CID 92572526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).