2-(4-fluorophenyl)sulfanyl-N-[1-(oxolan-3-yl)pyrazol-4-yl]acetamide

C15H16FN3O2S — CID 71810117

IUPAC2-(4-fluorophenyl)sulfanyl-N-[1-(oxolan-3-yl)pyrazol-4-yl]acetamide
SMILESO=C(CSc1ccc(F)cc1)Nc1cnn(C2CCOC2)c1
InChIInChI=1S/C15H16FN3O2S/c16-11-1-3-14(4-2-11)22-10-15(20)18-12-7-17-19(8-12)13-5-6-21-9-13/h1-4,7-8,13H,5-6,9-10H2,(H,18,20)
InChIKeyFEDHJSUPEKTETA-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.71
Rot. Bonds5

About 2-(4-fluorophenyl)sulfanyl-N-[1-(oxolan-3-yl)pyrazol-4-yl]acetamide

2-(4-fluorophenyl)sulfanyl-N-[1-(oxolan-3-yl)pyrazol-4-yl]acetamide (PubChem CID 71810117) has the molecular formula C15H16FN3O2S and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-N-[1-(oxolan-3-yl)pyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-N-[1-(oxolan-3-yl)pyrazol-4-yl]acetamide
PubChem CID71810117
Molecular FormulaC15H16FN3O2S
Molecular Weight321.38 g/mol
Exact Mass321.09
IUPAC Name2-(4-fluorophenyl)sulfanyl-N-[1-(oxolan-3-yl)pyrazol-4-yl]acetamide
SMILESO=C(CSc1ccc(F)cc1)Nc1cnn(C2CCOC2)c1
InChIInChI=1S/C15H16FN3O2S/c16-11-1-3-14(4-2-11)22-10-15(20)18-12-7-17-19(8-12)13-5-6-21-9-13/h1-4,7-8,13H,5-6,9-10H2,(H,18,20)
InChIKeyFEDHJSUPEKTETA-UHFFFAOYSA-N
XLogP2.71
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-{1-[2-(2-isoxazolidinyl)-2-oxoethyl]-1H-pyrazol-4-yl}-2-(phenylthio)acetamide
CID 42441669
N-(1-(tetrahydrofuran-3-yl)-1H-pyrazol-4-yl)-2-(thiophen-2-yl)acetamide
CID 71810100
N-(1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)-2-(thiophen-2-yl)acetamide
CID 71810199
2-((4-fluorophenyl)thio)-N-(1-((tetrahydro-2H-pyran-4-yl)methyl)-1H-pyrazol-4-yl)acetamide
CID 90622209
N-{1-[(S)-perhydro-3-furyl]-4-pyrazolyl}(p-fluorophenylthio)acetamide
CID 97428102
2,5-difluoro-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]benzenesulfonamide
CID 97428252
2,2-difluoro-N-[1-(phenylsulfanylmethyl)pyrazol-4-yl]acetamide
CID 3676519
N-cyclopentyl-2-[4-[[2-(3,4-difluorophenyl)sulfanylacetyl]amino]pyrazol-1-yl]acetamide
CID 49055255
N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-2-(4-fluorophenyl)sulfonylpropanamide
CID 49087216
N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-(4-fluorophenyl)sulfanylpropanamide
CID 49092901
N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-(2-fluorophenyl)sulfanylpropanamide
CID 49092967
N-(1-ethylpyrazol-4-yl)-3-(4-fluorophenyl)sulfonylbutanamide
CID 53614606

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-[1-(oxolan-3-yl)pyrazol-4-yl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-[1-(oxolan-3-yl)pyrazol-4-yl]acetamide (CID 71810117) is 2-(4-fluorophenyl)sulfanyl-N-[1-(oxolan-3-yl)pyrazol-4-yl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-N-[1-(oxolan-3-yl)pyrazol-4-yl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-N-[1-(oxolan-3-yl)pyrazol-4-yl]acetamide is O=C(CSc1ccc(F)cc1)Nc1cnn(C2CCOC2)c1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-N-[1-(oxolan-3-yl)pyrazol-4-yl]acetamide?
The InChIKey is FEDHJSUPEKTETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2S/c16-11-1-3-14(4-2-11)22-10-15(20)18-12-7-17-19(8-12)13-5-6-21-9-13/h1-4,7-8,13H,5-6,9-10H2,(H,18,20).
What are the key properties of 2-(4-fluorophenyl)sulfanyl-N-[1-(oxolan-3-yl)pyrazol-4-yl]acetamide?
2-(4-fluorophenyl)sulfanyl-N-[1-(oxolan-3-yl)pyrazol-4-yl]acetamide has a molecular weight of 321.38 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-N-[1-(oxolan-3-yl)pyrazol-4-yl]acetamide is sourced from PubChem (CID 71810117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).