2-(4-fluorophenyl)-4,5-dimethyl-3-(4-methylsulfonylphenyl)-1H-pyrazole-5-carboxamide

C19H20FN3O3S — CID 174297423

IUPAC2-(4-fluorophenyl)-4,5-dimethyl-3-(4-methylsulfonylphenyl)-1H-pyrazole-5-carboxamide
SMILESCC1=C(c2ccc(S(C)(=O)=O)cc2)N(c2ccc(F)cc2)NC1(C)C(N)=O
InChIInChI=1S/C19H20FN3O3S/c1-12-17(13-4-10-16(11-5-13)27(3,25)26)23(22-19(12,2)18(21)24)15-8-6-14(20)7-9-15/h4-11,22H,1-3H3,(H2,21,24)
InChIKeyORWSUEYLXOTQES-UHFFFAOYSA-N
MW389.45 g/mol
LogP2.23
Rot. Bonds4

About 2-(4-fluorophenyl)-4,5-dimethyl-3-(4-methylsulfonylphenyl)-1H-pyrazole-5-carboxamide

2-(4-fluorophenyl)-4,5-dimethyl-3-(4-methylsulfonylphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 174297423) has the molecular formula C19H20FN3O3S and a molecular weight of 389.45 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4,5-dimethyl-3-(4-methylsulfonylphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4,5-dimethyl-3-(4-methylsulfonylphenyl)-1H-pyrazole-5-carboxamide
PubChem CID174297423
Molecular FormulaC19H20FN3O3S
Molecular Weight389.45 g/mol
Exact Mass389.12
IUPAC Name2-(4-fluorophenyl)-4,5-dimethyl-3-(4-methylsulfonylphenyl)-1H-pyrazole-5-carboxamide
SMILESCC1=C(c2ccc(S(C)(=O)=O)cc2)N(c2ccc(F)cc2)NC1(C)C(N)=O
InChIInChI=1S/C19H20FN3O3S/c1-12-17(13-4-10-16(11-5-13)27(3,25)26)23(22-19(12,2)18(21)24)15-8-6-14(20)7-9-15/h4-11,22H,1-3H3,(H2,21,24)
InChIKeyORWSUEYLXOTQES-UHFFFAOYSA-N
XLogP2.23
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[formyl(methyl)amino]phenyl]-4,5-dimethyl-3-(4-methylsulfonylphenyl)-1H-pyrazole-5-carboxamide
CID 174296955
3-(4-fluorophenyl)-5-methyl-2-(4-methylsulfonylphenyl)-1,5-dihydro-1,2,4-triazole
CID 143044797
1-[3,3-difluoro-5-(4-methylsulfonylphenyl)cyclopenta-1,4-dien-1-yl]-4-fluorobenzene
CID 23370580
2-(4-fluorophenyl)-5-methylsulfonylaniline
CID 175686631
3-(4-fluorophenyl)-6-methyl-2-(4-methylsulfonylphenyl)-6H-pyrazolo[5,1-b][1,3]oxazole-5-carboxylic acid
CID 18409481
2-hydroxyethyl 2-[4-amino-1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]acetate
CID 140610855
3-[1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrrol-2-yl]propanoic acid
CID 10524261
3-(4-fluorophenyl)-1-methyl-4-(4-methylsulfonylphenyl)imidazol-2-one
CID 139782261
4-fluoro-2-[2-[1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]ethyl]benzoic acid
CID 68803049
(4-fluorophenyl)-(4-methylsulfonylphenyl)methanamine
CID 24689230
1-(4-fluorophenyl)-5-methylsulfonylpyrazole-3-carboxamide
CID 175821975
5-ethyl-3-(4-fluorophenyl)-5-methyl-4-(4-methylsulfonylphenyl)-2H-furan-2-ol
CID 18788494

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4,5-dimethyl-3-(4-methylsulfonylphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-4,5-dimethyl-3-(4-methylsulfonylphenyl)-1H-pyrazole-5-carboxamide (CID 174297423) is 2-(4-fluorophenyl)-4,5-dimethyl-3-(4-methylsulfonylphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-4,5-dimethyl-3-(4-methylsulfonylphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-4,5-dimethyl-3-(4-methylsulfonylphenyl)-1H-pyrazole-5-carboxamide is CC1=C(c2ccc(S(C)(=O)=O)cc2)N(c2ccc(F)cc2)NC1(C)C(N)=O.
What is the InChIKey of 2-(4-fluorophenyl)-4,5-dimethyl-3-(4-methylsulfonylphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is ORWSUEYLXOTQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O3S/c1-12-17(13-4-10-16(11-5-13)27(3,25)26)23(22-19(12,2)18(21)24)15-8-6-14(20)7-9-15/h4-11,22H,1-3H3,(H2,21,24).
What are the key properties of 2-(4-fluorophenyl)-4,5-dimethyl-3-(4-methylsulfonylphenyl)-1H-pyrazole-5-carboxamide?
2-(4-fluorophenyl)-4,5-dimethyl-3-(4-methylsulfonylphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 389.45 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4,5-dimethyl-3-(4-methylsulfonylphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 174297423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).