4,5-bis(4-fluorophenyl)-N-(4-methylsulfonylphenyl)-3,4-dihydropyrazole-2-carboxamide

C23H19F2N3O3S — CID 134126029

IUPAC4,5-bis(4-fluorophenyl)-N-(4-methylsulfonylphenyl)-3,4-dihydropyrazole-2-carboxamide
SMILESCS(=O)(=O)c1ccc(NC(=O)N2CC(c3ccc(F)cc3)C(c3ccc(F)cc3)=N2)cc1
InChIInChI=1S/C23H19F2N3O3S/c1-32(30,31)20-12-10-19(11-13-20)26-23(29)28-14-21(15-2-6-17(24)7-3-15)22(27-28)16-4-8-18(25)9-5-16/h2-13,21H,14H2,1H3,(H,26,29)
InChIKeySTNFSKXNCHOQMW-UHFFFAOYSA-N
MW455.49 g/mol
LogP4.40
Rot. Bonds4

About 4,5-bis(4-fluorophenyl)-N-(4-methylsulfonylphenyl)-3,4-dihydropyrazole-2-carboxamide

4,5-bis(4-fluorophenyl)-N-(4-methylsulfonylphenyl)-3,4-dihydropyrazole-2-carboxamide (PubChem CID 134126029) has the molecular formula C23H19F2N3O3S and a molecular weight of 455.49 g/mol. Its IUPAC name is 4,5-bis(4-fluorophenyl)-N-(4-methylsulfonylphenyl)-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound Name4,5-bis(4-fluorophenyl)-N-(4-methylsulfonylphenyl)-3,4-dihydropyrazole-2-carboxamide
PubChem CID134126029
Molecular FormulaC23H19F2N3O3S
Molecular Weight455.49 g/mol
Exact Mass455.11
IUPAC Name4,5-bis(4-fluorophenyl)-N-(4-methylsulfonylphenyl)-3,4-dihydropyrazole-2-carboxamide
SMILESCS(=O)(=O)c1ccc(NC(=O)N2CC(c3ccc(F)cc3)C(c3ccc(F)cc3)=N2)cc1
InChIInChI=1S/C23H19F2N3O3S/c1-32(30,31)20-12-10-19(11-13-20)26-23(29)28-14-21(15-2-6-17(24)7-3-15)22(27-28)16-4-8-18(25)9-5-16/h2-13,21H,14H2,1H3,(H,26,29)
InChIKeySTNFSKXNCHOQMW-UHFFFAOYSA-N
XLogP4.40
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.49
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-5-phenyl-3,4-dihydropyrazole-2-carboxamide
CID 134150541
N-(4-fluorophenyl)-5-(2-hydroxyethyl)-5-(4-methylsulfonylphenyl)-3-phenyl-4H-pyrazole-1-carboxamide
CID 134149384
1-(4-methylsulfonylphenyl)-3-[(Z)-1-phenylethylideneamino]urea
CID 168285544
1-[(Z)-1-(4-fluorophenyl)ethylideneamino]-3-(4-methylsulfonylphenyl)urea
CID 168291769
1-(Benzhydrylideneamino)-3-(4-methylsulfonylphenyl)urea
CID 168293862
1-[(Z)-(4-fluorophenyl)methylideneamino]-3-(4-methylsulfonylphenyl)urea
CID 168294946
(4S)-4-methyl-N,5-bis(4-methylsulfonylphenyl)-3,4-dihydropyrazole-2-carboxamide
CID 97634219
4-phenyl-5-[4-(2,2,2-trifluoroethylsulfanyl)phenyl]-N-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-2-carboxamide
CID 19835783
5-[3-chloro-4-(trifluoromethyl)phenyl]-4-methyl-N-(4-methylsulfonylphenyl)-4-phenyl-3H-pyrazole-2-carboxamide
CID 19852851
5-(4-chlorophenyl)-4-phenyl-N-[4-(trifluoromethylsulfanyl)phenyl]-3,4-dihydropyrazole-2-carboxamide
CID 20245869
5-(4-chlorophenyl)-4-(3-cyanopropyl)-N-[4-(trifluoromethylsulfonyl)phenyl]-3,4-dihydropyrazole-2-carboxamide
CID 20245876
5-(4-chlorophenyl)-4-phenyl-N-[4-(trifluoromethylsulfonyl)phenyl]-3,4-dihydropyrazole-2-carboxamide
CID 20245878

Frequently Asked Questions

What is the IUPAC name of 4,5-bis(4-fluorophenyl)-N-(4-methylsulfonylphenyl)-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of 4,5-bis(4-fluorophenyl)-N-(4-methylsulfonylphenyl)-3,4-dihydropyrazole-2-carboxamide (CID 134126029) is 4,5-bis(4-fluorophenyl)-N-(4-methylsulfonylphenyl)-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for 4,5-bis(4-fluorophenyl)-N-(4-methylsulfonylphenyl)-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for 4,5-bis(4-fluorophenyl)-N-(4-methylsulfonylphenyl)-3,4-dihydropyrazole-2-carboxamide is CS(=O)(=O)c1ccc(NC(=O)N2CC(c3ccc(F)cc3)C(c3ccc(F)cc3)=N2)cc1.
What is the InChIKey of 4,5-bis(4-fluorophenyl)-N-(4-methylsulfonylphenyl)-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is STNFSKXNCHOQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N3O3S/c1-32(30,31)20-12-10-19(11-13-20)26-23(29)28-14-21(15-2-6-17(24)7-3-15)22(27-28)16-4-8-18(25)9-5-16/h2-13,21H,14H2,1H3,(H,26,29).
What are the key properties of 4,5-bis(4-fluorophenyl)-N-(4-methylsulfonylphenyl)-3,4-dihydropyrazole-2-carboxamide?
4,5-bis(4-fluorophenyl)-N-(4-methylsulfonylphenyl)-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 455.49 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(4-fluorophenyl)-N-(4-methylsulfonylphenyl)-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 134126029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).