N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]-3-(2-fluorophenyl)propanamide

C17H20FN3O3S — CID 55561140

IUPACN-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]-3-(2-fluorophenyl)propanamide
SMILESCc1cc(NC(=O)CCc2ccccc2F)n(C2CCS(=O)(=O)C2)n1
InChIInChI=1S/C17H20FN3O3S/c1-12-10-16(21(20-12)14-8-9-25(23,24)11-14)19-17(22)7-6-13-4-2-3-5-15(13)18/h2-5,10,14H,6-9,11H2,1H3,(H,19,22)
InChIKeyDQBWYSRRIWELJO-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.26
Rot. Bonds5

About N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]-3-(2-fluorophenyl)propanamide

N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]-3-(2-fluorophenyl)propanamide (PubChem CID 55561140) has the molecular formula C17H20FN3O3S and a molecular weight of 365.43 g/mol. Its IUPAC name is N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]-3-(2-fluorophenyl)propanamide.

Molecular Properties

Compound NameN-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]-3-(2-fluorophenyl)propanamide
PubChem CID55561140
Molecular FormulaC17H20FN3O3S
Molecular Weight365.43 g/mol
Exact Mass365.12
IUPAC NameN-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]-3-(2-fluorophenyl)propanamide
SMILESCc1cc(NC(=O)CCc2ccccc2F)n(C2CCS(=O)(=O)C2)n1
InChIInChI=1S/C17H20FN3O3S/c1-12-10-16(21(20-12)14-8-9-25(23,24)11-14)19-17(22)7-6-13-4-2-3-5-15(13)18/h2-5,10,14H,6-9,11H2,1H3,(H,19,22)
InChIKeyDQBWYSRRIWELJO-UHFFFAOYSA-N
XLogP2.26
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]-3-(2-fluorophenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-methylbutanamide
CID 756242
3-methyl-N-[2-(2-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]butanamide
CID 756245
N-(2-tert-butyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-phenylacetamide
CID 3373386
N-(5,5-dioxido-2-(p-tolyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)-2-ethylbutanamide
CID 4390646
N-(5,5-dioxido-2-(p-tolyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)isobutyramide
CID 4462899
2,2-dimethyl-N-[2-(2-methylphenyl)-5,5-dioxido-2,6-dihydro-4H-thieno[3,4-c]pyrazol-3-yl]propanamide
CID 4577202
N-(5,5-dioxido-2-(p-tolyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)pivalamide
CID 5140889
3-methyl-N-(5-oxido-2-(p-tolyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)butanamide
CID 756241
N-(2-(tert-butyl)-5-oxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)-2-fluorobenzamide
CID 756298
3-cyclohexyl-N-[2-(4-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide
CID 2160264
3-cyclohexyl-N-(2-(4-fluorophenyl)-5-oxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)propanamide
CID 2160265
3-cyclohexyl-N-[2-(4-fluorophenyl)-5,5-dioxido-2,6-dihydro-4H-thieno[3,4-c]pyrazol-3-yl]propanamide
CID 3243981

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]-3-(2-fluorophenyl)propanamide?
The IUPAC name of N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]-3-(2-fluorophenyl)propanamide (CID 55561140) is N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]-3-(2-fluorophenyl)propanamide.
What is the SMILES notation for N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]-3-(2-fluorophenyl)propanamide?
The canonical SMILES for N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]-3-(2-fluorophenyl)propanamide is Cc1cc(NC(=O)CCc2ccccc2F)n(C2CCS(=O)(=O)C2)n1.
What is the InChIKey of N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]-3-(2-fluorophenyl)propanamide?
The InChIKey is DQBWYSRRIWELJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O3S/c1-12-10-16(21(20-12)14-8-9-25(23,24)11-14)19-17(22)7-6-13-4-2-3-5-15(13)18/h2-5,10,14H,6-9,11H2,1H3,(H,19,22).
What are the key properties of N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]-3-(2-fluorophenyl)propanamide?
N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]-3-(2-fluorophenyl)propanamide has a molecular weight of 365.43 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]-3-(2-fluorophenyl)propanamide is sourced from PubChem (CID 55561140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).