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

C16H18FN3O2S — CID 71810219

IUPAC2-(4-fluorophenyl)sulfanyl-N-[1-(oxan-4-yl)pyrazol-4-yl]acetamide
SMILESO=C(CSc1ccc(F)cc1)Nc1cnn(C2CCOCC2)c1
InChIInChI=1S/C16H18FN3O2S/c17-12-1-3-15(4-2-12)23-11-16(21)19-13-9-18-20(10-13)14-5-7-22-8-6-14/h1-4,9-10,14H,5-8,11H2,(H,19,21)
InChIKeyWLRKCDVIZCHULB-UHFFFAOYSA-N
MW335.40 g/mol
LogP3.10
Rot. Bonds5

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

2-(4-fluorophenyl)sulfanyl-N-[1-(oxan-4-yl)pyrazol-4-yl]acetamide (PubChem CID 71810219) has the molecular formula C16H18FN3O2S and a molecular weight of 335.40 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-N-[1-(oxan-4-yl)pyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-N-[1-(oxan-4-yl)pyrazol-4-yl]acetamide
PubChem CID71810219
Molecular FormulaC16H18FN3O2S
Molecular Weight335.40 g/mol
Exact Mass335.11
IUPAC Name2-(4-fluorophenyl)sulfanyl-N-[1-(oxan-4-yl)pyrazol-4-yl]acetamide
SMILESO=C(CSc1ccc(F)cc1)Nc1cnn(C2CCOCC2)c1
InChIInChI=1S/C16H18FN3O2S/c17-12-1-3-15(4-2-12)23-11-16(21)19-13-9-18-20(10-13)14-5-7-22-8-6-14/h1-4,9-10,14H,5-8,11H2,(H,19,21)
InChIKeyWLRKCDVIZCHULB-UHFFFAOYSA-N
XLogP3.10
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 53.10
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-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)-2-(thiophen-2-yl)acetamide
CID 71810199
3,4-difluoro-N-(1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)benzenesulfonamide
CID 71810311
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
N-[1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 3510390
2,2-difluoro-N-[1-(phenylsulfanylmethyl)pyrazol-4-yl]acetamide
CID 3676519
N-[1-(2-{4-[(4-fluorophenyl)thio]-1-piperidinyl}-2-oxoethyl)-1H-pyrazol-4-yl]-2-(phenylthio)acetamide
CID 26354395
N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2-phenylsulfanylacetamide
CID 35277614
N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2-phenylsulfanylacetamide
CID 35521336
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-2-phenylsulfanylacetamide
CID 35521362
2-(4-fluorophenyl)sulfanyl-N-(3-pyrazol-1-ylpropyl)acetamide
CID 37394462

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-[1-(oxan-4-yl)pyrazol-4-yl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-[1-(oxan-4-yl)pyrazol-4-yl]acetamide (CID 71810219) is 2-(4-fluorophenyl)sulfanyl-N-[1-(oxan-4-yl)pyrazol-4-yl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-N-[1-(oxan-4-yl)pyrazol-4-yl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-N-[1-(oxan-4-yl)pyrazol-4-yl]acetamide is O=C(CSc1ccc(F)cc1)Nc1cnn(C2CCOCC2)c1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-N-[1-(oxan-4-yl)pyrazol-4-yl]acetamide?
The InChIKey is WLRKCDVIZCHULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O2S/c17-12-1-3-15(4-2-12)23-11-16(21)19-13-9-18-20(10-13)14-5-7-22-8-6-14/h1-4,9-10,14H,5-8,11H2,(H,19,21).
What are the key properties of 2-(4-fluorophenyl)sulfanyl-N-[1-(oxan-4-yl)pyrazol-4-yl]acetamide?
2-(4-fluorophenyl)sulfanyl-N-[1-(oxan-4-yl)pyrazol-4-yl]acetamide has a molecular weight of 335.40 g/mol, XLogP of 3.10, 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-(oxan-4-yl)pyrazol-4-yl]acetamide is sourced from PubChem (CID 71810219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).