5-(4-fluorophenyl)-1-methyl-N-(4-methyl-3-morpholin-4-ylsulfinylphenyl)pyrazole-4-carboxamide

C22H23FN4O3S — CID 143451850

IUPAC5-(4-fluorophenyl)-1-methyl-N-(4-methyl-3-morpholin-4-ylsulfinylphenyl)pyrazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2cnn(C)c2-c2ccc(F)cc2)cc1S(=O)N1CCOCC1
InChIInChI=1S/C22H23FN4O3S/c1-15-3-8-18(13-20(15)31(29)27-9-11-30-12-10-27)25-22(28)19-14-24-26(2)21(19)16-4-6-17(23)7-5-16/h3-8,13-14H,9-12H2,1-2H3,(H,25,28)
InChIKeyXZTWLNVLZQFJPM-UHFFFAOYSA-N
MW442.52 g/mol
LogP3.14
Rot. Bonds5

About 5-(4-fluorophenyl)-1-methyl-N-(4-methyl-3-morpholin-4-ylsulfinylphenyl)pyrazole-4-carboxamide

5-(4-fluorophenyl)-1-methyl-N-(4-methyl-3-morpholin-4-ylsulfinylphenyl)pyrazole-4-carboxamide (PubChem CID 143451850) has the molecular formula C22H23FN4O3S and a molecular weight of 442.52 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-1-methyl-N-(4-methyl-3-morpholin-4-ylsulfinylphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-1-methyl-N-(4-methyl-3-morpholin-4-ylsulfinylphenyl)pyrazole-4-carboxamide
PubChem CID143451850
Molecular FormulaC22H23FN4O3S
Molecular Weight442.52 g/mol
Exact Mass442.15
IUPAC Name5-(4-fluorophenyl)-1-methyl-N-(4-methyl-3-morpholin-4-ylsulfinylphenyl)pyrazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2cnn(C)c2-c2ccc(F)cc2)cc1S(=O)N1CCOCC1
InChIInChI=1S/C22H23FN4O3S/c1-15-3-8-18(13-20(15)31(29)27-9-11-30-12-10-27)25-22(28)19-14-24-26(2)21(19)16-4-6-17(23)7-5-16/h3-8,13-14H,9-12H2,1-2H3,(H,25,28)
InChIKeyXZTWLNVLZQFJPM-UHFFFAOYSA-N
XLogP3.14
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-methyl-5-(4-phenyl-1H-pyrrol-3-yl)phenyl]sulfinylmorpholine
CID 167108954
1-[5-(4-fluorophenyl)-1-methylpyrazol-4-yl]ethanone
CID 105472133
1-tert-butyl-N-[3-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-4-methylphenyl]-5-(4-fluorophenyl)pyrazole-4-carboxamide
CID 143451978
5-(4-fluorophenyl)-1-methylpyrazole-4-carboxamide
CID 86721229
N-[3-cyano-4-(2-morpholin-4-ylethylsulfanyl)phenyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 22228047
2-chloro-4-fluoro-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 26759942
1-tert-butyl-N-[4-chloro-3-[4-(3-oxomorpholin-4-yl)piperidine-1-carbonyl]phenyl]-5-(4-fluorophenyl)pyrazole-4-carboxamide;ethane
CID 143451932
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide
CID 16591698
N-[3-(4-bromo-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-4-fluorobenzamide
CID 66928354
5-[(5-fluoro-2-methylbenzoyl)amino]-2-methylbenzoic acid
CID 63652796
N-(4-fluorophenyl)-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 44823137
2,5-dimethyl-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide
CID 53164782

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-1-methyl-N-(4-methyl-3-morpholin-4-ylsulfinylphenyl)pyrazole-4-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-1-methyl-N-(4-methyl-3-morpholin-4-ylsulfinylphenyl)pyrazole-4-carboxamide (CID 143451850) is 5-(4-fluorophenyl)-1-methyl-N-(4-methyl-3-morpholin-4-ylsulfinylphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-1-methyl-N-(4-methyl-3-morpholin-4-ylsulfinylphenyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-1-methyl-N-(4-methyl-3-morpholin-4-ylsulfinylphenyl)pyrazole-4-carboxamide is Cc1ccc(NC(=O)c2cnn(C)c2-c2ccc(F)cc2)cc1S(=O)N1CCOCC1.
What is the InChIKey of 5-(4-fluorophenyl)-1-methyl-N-(4-methyl-3-morpholin-4-ylsulfinylphenyl)pyrazole-4-carboxamide?
The InChIKey is XZTWLNVLZQFJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O3S/c1-15-3-8-18(13-20(15)31(29)27-9-11-30-12-10-27)25-22(28)19-14-24-26(2)21(19)16-4-6-17(23)7-5-16/h3-8,13-14H,9-12H2,1-2H3,(H,25,28).
What are the key properties of 5-(4-fluorophenyl)-1-methyl-N-(4-methyl-3-morpholin-4-ylsulfinylphenyl)pyrazole-4-carboxamide?
5-(4-fluorophenyl)-1-methyl-N-(4-methyl-3-morpholin-4-ylsulfinylphenyl)pyrazole-4-carboxamide has a molecular weight of 442.52 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-1-methyl-N-(4-methyl-3-morpholin-4-ylsulfinylphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 143451850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).