N-[[1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methyl]acetamide

C19H18FN3O3S — CID 19886145

IUPACN-[[1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methyl]acetamide
SMILESCC(=O)NCc1cc(-c2ccc(S(C)(=O)=O)cc2)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C19H18FN3O3S/c1-13(24)21-12-16-11-19(14-3-9-18(10-4-14)27(2,25)26)23(22-16)17-7-5-15(20)6-8-17/h3-11H,12H2,1-2H3,(H,21,24)
InChIKeySAMQWYYFDXOTNY-UHFFFAOYSA-N
MW387.44 g/mol
LogP2.72
Rot. Bonds5

About N-[[1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methyl]acetamide

N-[[1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methyl]acetamide (PubChem CID 19886145) has the molecular formula C19H18FN3O3S and a molecular weight of 387.44 g/mol. Its IUPAC name is N-[[1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methyl]acetamide
PubChem CID19886145
Molecular FormulaC19H18FN3O3S
Molecular Weight387.44 g/mol
Exact Mass387.11
IUPAC NameN-[[1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methyl]acetamide
SMILESCC(=O)NCc1cc(-c2ccc(S(C)(=O)=O)cc2)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C19H18FN3O3S/c1-13(24)21-12-16-11-19(14-3-9-18(10-4-14)27(2,25)26)23(22-16)17-7-5-15(20)6-8-17/h3-11H,12H2,1-2H3,(H,21,24)
InChIKeySAMQWYYFDXOTNY-UHFFFAOYSA-N
XLogP2.72
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methyl]acetamide 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

DPC 423 derivative, 4
CID 23648140
1-Cycloheptyl-3-[1-(4-methanesulfonyl-phenyl)-5-phenyl-1Hpyrazol-3-ylmethyl]-urea
CID 52951486
1-[1-(4-Methanesulfonyl-phenyl)-5-phenyl-1H-pyrazol-3-ylmethyl]-3-phenyl-urea
CID 52951487
1-[1-(4-Methanesulfonyl-phenyl)-5-phenyl-1H-pyrazol-3-ylmethyl]-3-(4-trifluoromethyl-phenyl)-urea
CID 52951489
1-[1-(4-Methanesulfonyl-phenyl)-5-phenyl-1H-pyrazol-3-ylmethyl]-3-(3-trifluoromethyl-phenyl)-urea
CID 52951612
1-[5-tert-Butyl-1-(4-methanesulfonyl-phenyl)-1H-pyrazol-3-ylmethyl]-3-(3-trifluoromethyl-phenyl)-urea
CID 52951614
1-{3-[1-(4-Methanesulfonyl-phenyl)-5-phenyl-1H-pyrazol-3-yl]-propyl}-3-(3-trifluoromethyl-phenyl)-urea
CID 52951734
2-(5-(2-Fluorophenyl)-3-phenyl-1H-pyrazol-1-yl)-N-(4-sulfamoylphenyl)acetamide (12)
CID 86766211
2-(5-(4-Fluorophenyl)-3-phenyl-1H-pyrazol-1-yl)-N-(4-sulfamoylphenyl)acetamide (16)
CID 86766215
2-(3,4-dimethyl-7-oxo-2-phenyl-2,7-dihydro-6H-pyrazolo[3,4-d]pyridazin-6-yl)-N-{2-[4-(methylthio)phenyl]ethyl}propanamide
CID 16022780
1-(3-((2-aminoacetamido)methyl)phenyl)-N-(3-(methylsulfonyl)phenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 44578432
3-methyl-N-{2-[4-(methylthio)phenyl]ethyl}-1-phenyl-1H-pyrazole-5-carboxamide
CID 16193378

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methyl]acetamide?
The IUPAC name of N-[[1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methyl]acetamide (CID 19886145) is N-[[1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methyl]acetamide?
The canonical SMILES for N-[[1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methyl]acetamide is CC(=O)NCc1cc(-c2ccc(S(C)(=O)=O)cc2)n(-c2ccc(F)cc2)n1.
What is the InChIKey of N-[[1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methyl]acetamide?
The InChIKey is SAMQWYYFDXOTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3S/c1-13(24)21-12-16-11-19(14-3-9-18(10-4-14)27(2,25)26)23(22-16)17-7-5-15(20)6-8-17/h3-11H,12H2,1-2H3,(H,21,24).
What are the key properties of N-[[1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methyl]acetamide?
N-[[1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methyl]acetamide has a molecular weight of 387.44 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrazol-3-yl]methyl]acetamide is sourced from PubChem (CID 19886145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).