N-(4-fluorophenyl)-5-(2-hydroxyethyl)-5-(4-methylsulfonylphenyl)-3-phenyl-4H-pyrazole-1-carboxamide

C25H24FN3O4S — CID 134149384

IUPACN-(4-fluorophenyl)-5-(2-hydroxyethyl)-5-(4-methylsulfonylphenyl)-3-phenyl-4H-pyrazole-1-carboxamide
SMILESCS(=O)(=O)c1ccc(C2(CCO)CC(c3ccccc3)=NN2C(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C25H24FN3O4S/c1-34(32,33)22-13-7-19(8-14-22)25(15-16-30)17-23(18-5-3-2-4-6-18)28-29(25)24(31)27-21-11-9-20(26)10-12-21/h2-14,30H,15-17H2,1H3,(H,27,31)
InChIKeySFBZRXGHYCXLLK-UHFFFAOYSA-N
MW481.55 g/mol
LogP4.15
Rot. Bonds6

About N-(4-fluorophenyl)-5-(2-hydroxyethyl)-5-(4-methylsulfonylphenyl)-3-phenyl-4H-pyrazole-1-carboxamide

N-(4-fluorophenyl)-5-(2-hydroxyethyl)-5-(4-methylsulfonylphenyl)-3-phenyl-4H-pyrazole-1-carboxamide (PubChem CID 134149384) has the molecular formula C25H24FN3O4S and a molecular weight of 481.55 g/mol. Its IUPAC name is N-(4-fluorophenyl)-5-(2-hydroxyethyl)-5-(4-methylsulfonylphenyl)-3-phenyl-4H-pyrazole-1-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-5-(2-hydroxyethyl)-5-(4-methylsulfonylphenyl)-3-phenyl-4H-pyrazole-1-carboxamide
PubChem CID134149384
Molecular FormulaC25H24FN3O4S
Molecular Weight481.55 g/mol
Exact Mass481.15
IUPAC NameN-(4-fluorophenyl)-5-(2-hydroxyethyl)-5-(4-methylsulfonylphenyl)-3-phenyl-4H-pyrazole-1-carboxamide
SMILESCS(=O)(=O)c1ccc(C2(CCO)CC(c3ccccc3)=NN2C(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C25H24FN3O4S/c1-34(32,33)22-13-7-19(8-14-22)25(15-16-30)17-23(18-5-3-2-4-6-18)28-29(25)24(31)27-21-11-9-20(26)10-12-21/h2-14,30H,15-17H2,1H3,(H,27,31)
InChIKeySFBZRXGHYCXLLK-UHFFFAOYSA-N
XLogP4.15
TPSA99.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.55
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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)-3,5-diphenyl-4H-pyrazole-1-carboxamide
CID 134148112
3-(4-fluorophenyl)-N,4-bis[4-(methylsulfonyl)phenyl]-4,5-dihydro-1H-pyrazole-1-carboxamide
CID 56698552
(4R)-5-(4-fluorophenyl)-N,4-bis(4-methylsulfonylphenyl)-3,4-dihydropyrazole-2-carboxamide
CID 97033741
(4S)-5-(4-fluorophenyl)-N,4-bis(4-methylsulfonylphenyl)-3,4-dihydropyrazole-2-carboxamide
CID 97033742
4,5-bis(4-fluorophenyl)-N-(4-methylsulfonylphenyl)-3,4-dihydropyrazole-2-carboxamide
CID 134126029

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-5-(2-hydroxyethyl)-5-(4-methylsulfonylphenyl)-3-phenyl-4H-pyrazole-1-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-5-(2-hydroxyethyl)-5-(4-methylsulfonylphenyl)-3-phenyl-4H-pyrazole-1-carboxamide (CID 134149384) is N-(4-fluorophenyl)-5-(2-hydroxyethyl)-5-(4-methylsulfonylphenyl)-3-phenyl-4H-pyrazole-1-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-5-(2-hydroxyethyl)-5-(4-methylsulfonylphenyl)-3-phenyl-4H-pyrazole-1-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-5-(2-hydroxyethyl)-5-(4-methylsulfonylphenyl)-3-phenyl-4H-pyrazole-1-carboxamide is CS(=O)(=O)c1ccc(C2(CCO)CC(c3ccccc3)=NN2C(=O)Nc2ccc(F)cc2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-5-(2-hydroxyethyl)-5-(4-methylsulfonylphenyl)-3-phenyl-4H-pyrazole-1-carboxamide?
The InChIKey is SFBZRXGHYCXLLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O4S/c1-34(32,33)22-13-7-19(8-14-22)25(15-16-30)17-23(18-5-3-2-4-6-18)28-29(25)24(31)27-21-11-9-20(26)10-12-21/h2-14,30H,15-17H2,1H3,(H,27,31).
What are the key properties of N-(4-fluorophenyl)-5-(2-hydroxyethyl)-5-(4-methylsulfonylphenyl)-3-phenyl-4H-pyrazole-1-carboxamide?
N-(4-fluorophenyl)-5-(2-hydroxyethyl)-5-(4-methylsulfonylphenyl)-3-phenyl-4H-pyrazole-1-carboxamide has a molecular weight of 481.55 g/mol, XLogP of 4.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-5-(2-hydroxyethyl)-5-(4-methylsulfonylphenyl)-3-phenyl-4H-pyrazole-1-carboxamide is sourced from PubChem (CID 134149384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).