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

C23H20FN3O3S — CID 134150541

IUPACN-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-5-phenyl-3,4-dihydropyrazole-2-carboxamide
SMILESCS(=O)(=O)c1ccc(C2CC(c3ccccc3)=NN2C(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C23H20FN3O3S/c1-31(29,30)20-13-7-17(8-14-20)22-15-21(16-5-3-2-4-6-16)26-27(22)23(28)25-19-11-9-18(24)10-12-19/h2-14,22H,15H2,1H3,(H,25,28)
InChIKeyKXOBYPUBQLDKPN-UHFFFAOYSA-N
MW437.50 g/mol
LogP4.61
Rot. Bonds4

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

N-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-5-phenyl-3,4-dihydropyrazole-2-carboxamide (PubChem CID 134150541) has the molecular formula C23H20FN3O3S and a molecular weight of 437.50 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-5-phenyl-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-5-phenyl-3,4-dihydropyrazole-2-carboxamide
PubChem CID134150541
Molecular FormulaC23H20FN3O3S
Molecular Weight437.50 g/mol
Exact Mass437.12
IUPAC NameN-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-5-phenyl-3,4-dihydropyrazole-2-carboxamide
SMILESCS(=O)(=O)c1ccc(C2CC(c3ccccc3)=NN2C(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C23H20FN3O3S/c1-31(29,30)20-13-7-17(8-14-20)22-15-21(16-5-3-2-4-6-16)26-27(22)23(28)25-19-11-9-18(24)10-12-19/h2-14,22H,15H2,1H3,(H,25,28)
InChIKeyKXOBYPUBQLDKPN-UHFFFAOYSA-N
XLogP4.61
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-Methylsulfonylphenyl)-2,5-diphenyl-3,4-dihydropyrazole
CID 12581132
3,5-bis(4-fluorophenyl)-N-phenyl-4,5-dihydro-1H-pyrazole-1-carboxamide
CID 10833431
3,5-bis(4-fluorophenyl)-N-(4-methylphenyl)-4,5-dihydro-1H-pyrazole-1-carboxamide
CID 11841121
N-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-5-pyridin-4-yl-3,4-dihydropyrazole-2-carboxamide
CID 134139327
N-(4-fluorophenyl)-5-(2-hydroxyethyl)-5-(4-methylsulfonylphenyl)-3-phenyl-4H-pyrazole-1-carboxamide
CID 134149384
N,3-bis(4-fluorophenyl)-5-phenyl-3,4-dihydropyrazole-2-carboxamide
CID 134156846
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
5-(4-fluorophenyl)-N,3-diphenyl-3,4-dihydropyrazole-2-carboxamide
CID 138968142
3-(2,4-Difluorophenyl)-1-methyl-1-[1-(4-methylsulfonylphenyl)ethyl]urea
CID 47022409
(4S)-4-methyl-N,5-bis(4-methylsulfonylphenyl)-3,4-dihydropyrazole-2-carboxamide
CID 97634219

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-5-phenyl-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-5-phenyl-3,4-dihydropyrazole-2-carboxamide (CID 134150541) is N-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-5-phenyl-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-5-phenyl-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-5-phenyl-3,4-dihydropyrazole-2-carboxamide is CS(=O)(=O)c1ccc(C2CC(c3ccccc3)=NN2C(=O)Nc2ccc(F)cc2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-5-phenyl-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is KXOBYPUBQLDKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O3S/c1-31(29,30)20-13-7-17(8-14-20)22-15-21(16-5-3-2-4-6-16)26-27(22)23(28)25-19-11-9-18(24)10-12-19/h2-14,22H,15H2,1H3,(H,25,28).
What are the key properties of N-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-5-phenyl-3,4-dihydropyrazole-2-carboxamide?
N-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-5-phenyl-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 437.50 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-5-phenyl-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 134150541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).