N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(2-fluorophenyl)sulfanylacetamide

C19H18FN3O2S — CID 2591864

IUPACN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(2-fluorophenyl)sulfanylacetamide
SMILESCc1c(NC(=O)CSc2ccccc2F)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C19H18FN3O2S/c1-13-18(19(25)23(22(13)2)14-8-4-3-5-9-14)21-17(24)12-26-16-11-7-6-10-15(16)20/h3-11H,12H2,1-2H3,(H,21,24)
InChIKeyLNKZYOZJZAFDOE-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.35
Rot. Bonds5

About N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(2-fluorophenyl)sulfanylacetamide

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(2-fluorophenyl)sulfanylacetamide (PubChem CID 2591864) has the molecular formula C19H18FN3O2S and a molecular weight of 371.44 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(2-fluorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(2-fluorophenyl)sulfanylacetamide
PubChem CID2591864
Molecular FormulaC19H18FN3O2S
Molecular Weight371.44 g/mol
Exact Mass371.11
IUPAC NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(2-fluorophenyl)sulfanylacetamide
SMILESCc1c(NC(=O)CSc2ccccc2F)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C19H18FN3O2S/c1-13-18(19(25)23(22(13)2)14-8-4-3-5-9-14)21-17(24)12-26-16-11-7-6-10-15(16)20/h3-11H,12H2,1-2H3,(H,21,24)
InChIKeyLNKZYOZJZAFDOE-UHFFFAOYSA-N
XLogP3.35
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-fluorophenyl)-2-[[2-(2-fluorophenyl)sulfanylacetyl]-methylamino]acetamide
CID 9439216
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-N'-[4-(methylthio)phenyl]urea
CID 285404
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-N'-(3-fluorophenyl)urea
CID 287146
2-[(4-chlorophenyl)sulfanyl]-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)acetamide
CID 1143134
3-[(4-chlorophenyl)sulfanyl]-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)propanamide
CID 1208654
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-[(4-methylbenzyl)thio]acetamide
CID 2279922
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-methylphenyl)sulfonylacetamide
CID 2543092
N-[3-fluoro-4-(4-methylpiperazino)phenyl]-2-(phenylsulfanyl)acetamide
CID 3767520
N-(3-fluorophenyl)-2-[methyl-(2-phenylsulfanylacetyl)amino]acetamide
CID 9439127
N-[2-(3-fluoroanilino)-2-oxoethyl]-3-(4-fluorophenyl)sulfanyl-N-methylpropanamide
CID 9439211
3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-1-(4-fluorophenyl)urea
CID 310357
N-(2,6-difluorophenyl)-2-[ethyl-[2-(4-fluorophenyl)sulfanylacetyl]amino]acetamide
CID 24979583

Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(2-fluorophenyl)sulfanylacetamide?
The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(2-fluorophenyl)sulfanylacetamide (CID 2591864) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(2-fluorophenyl)sulfanylacetamide.
What is the SMILES notation for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(2-fluorophenyl)sulfanylacetamide?
The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(2-fluorophenyl)sulfanylacetamide is Cc1c(NC(=O)CSc2ccccc2F)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(2-fluorophenyl)sulfanylacetamide?
The InChIKey is LNKZYOZJZAFDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2S/c1-13-18(19(25)23(22(13)2)14-8-4-3-5-9-14)21-17(24)12-26-16-11-7-6-10-15(16)20/h3-11H,12H2,1-2H3,(H,21,24).
What are the key properties of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(2-fluorophenyl)sulfanylacetamide?
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(2-fluorophenyl)sulfanylacetamide has a molecular weight of 371.44 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(2-fluorophenyl)sulfanylacetamide is sourced from PubChem (CID 2591864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).