2-(1,3-dimethylpyrazol-4-yl)sulfonyl-5-phenyl-3-(trifluoromethyl)-4H-pyrazol-3-ol

C15H15F3N4O3S — CID 19587811

IUPAC2-(1,3-dimethylpyrazol-4-yl)sulfonyl-5-phenyl-3-(trifluoromethyl)-4H-pyrazol-3-ol
SMILESCc1nn(C)cc1S(=O)(=O)N1N=C(c2ccccc2)CC1(O)C(F)(F)F
InChIInChI=1S/C15H15F3N4O3S/c1-10-13(9-21(2)19-10)26(24,25)22-14(23,15(16,17)18)8-12(20-22)11-6-4-3-5-7-11/h3-7,9,23H,8H2,1-2H3
InChIKeyKEKFGNQLQZNJRH-UHFFFAOYSA-N
MW388.37 g/mol
LogP1.78
Rot. Bonds3

About 2-(1,3-dimethylpyrazol-4-yl)sulfonyl-5-phenyl-3-(trifluoromethyl)-4H-pyrazol-3-ol

2-(1,3-dimethylpyrazol-4-yl)sulfonyl-5-phenyl-3-(trifluoromethyl)-4H-pyrazol-3-ol (PubChem CID 19587811) has the molecular formula C15H15F3N4O3S and a molecular weight of 388.37 g/mol. Its IUPAC name is 2-(1,3-dimethylpyrazol-4-yl)sulfonyl-5-phenyl-3-(trifluoromethyl)-4H-pyrazol-3-ol.

Molecular Properties

Compound Name2-(1,3-dimethylpyrazol-4-yl)sulfonyl-5-phenyl-3-(trifluoromethyl)-4H-pyrazol-3-ol
PubChem CID19587811
Molecular FormulaC15H15F3N4O3S
Molecular Weight388.37 g/mol
Exact Mass388.08
IUPAC Name2-(1,3-dimethylpyrazol-4-yl)sulfonyl-5-phenyl-3-(trifluoromethyl)-4H-pyrazol-3-ol
SMILESCc1nn(C)cc1S(=O)(=O)N1N=C(c2ccccc2)CC1(O)C(F)(F)F
InChIInChI=1S/C15H15F3N4O3S/c1-10-13(9-21(2)19-10)26(24,25)22-14(23,15(16,17)18)8-12(20-22)11-6-4-3-5-7-11/h3-7,9,23H,8H2,1-2H3
InChIKeyKEKFGNQLQZNJRH-UHFFFAOYSA-N
XLogP1.78
TPSA87.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.37
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,3-dimethyl-N-(1-phenylpropyl)-1H-pyrazole-4-sulfonamide
CID 6469875
1,3-dimethyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide
CID 1508669
N-(2,6-difluorobenzyl)-1,3-dimethyl-1H-pyrazole-4-sulfonamide
CID 42282271
4-{[3-(4-fluorophenyl)-1H-pyrazol-1-yl]sulfonyl}-1,3-dimethyl-1H-pyrazole
CID 19615281
1-Methyl-3-phenyl-1H-pyrazole-4-sulfonyl chloride
CID 137963845
1,3-dimethyl-N-(4-phenylbutan-2-yl)pyrazole-4-sulfonamide
CID 19681684
4-benzyl-1-{[1-(difluoromethyl)-3-methyl-1H-pyrazol-4-yl]sulfonyl}piperidine
CID 19614753
1-(difluoromethyl)-4-{[2-(2-fluorophenyl)pyrrolidin-1-yl]sulfonyl}-5-methyl-1H-pyrazole
CID 45924405
1-(difluoromethyl)-4-{[2-(3-fluorophenyl)pyrrolidin-1-yl]sulfonyl}-5-methyl-1H-pyrazole
CID 45924593
1-(difluoromethyl)-5-methyl-4-{[2-(2-methylphenyl)pyrrolidin-1-yl]sulfonyl}-1H-pyrazole
CID 45924989
1-(difluoromethyl)-5-methyl-4-{[2-(4-methylphenyl)pyrrolidin-1-yl]sulfonyl}-1H-pyrazole
CID 50747025
1-(difluoromethyl)-4-{[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonyl}-5-methyl-1H-pyrazole
CID 50747176

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethylpyrazol-4-yl)sulfonyl-5-phenyl-3-(trifluoromethyl)-4H-pyrazol-3-ol?
The IUPAC name of 2-(1,3-dimethylpyrazol-4-yl)sulfonyl-5-phenyl-3-(trifluoromethyl)-4H-pyrazol-3-ol (CID 19587811) is 2-(1,3-dimethylpyrazol-4-yl)sulfonyl-5-phenyl-3-(trifluoromethyl)-4H-pyrazol-3-ol.
What is the SMILES notation for 2-(1,3-dimethylpyrazol-4-yl)sulfonyl-5-phenyl-3-(trifluoromethyl)-4H-pyrazol-3-ol?
The canonical SMILES for 2-(1,3-dimethylpyrazol-4-yl)sulfonyl-5-phenyl-3-(trifluoromethyl)-4H-pyrazol-3-ol is Cc1nn(C)cc1S(=O)(=O)N1N=C(c2ccccc2)CC1(O)C(F)(F)F.
What is the InChIKey of 2-(1,3-dimethylpyrazol-4-yl)sulfonyl-5-phenyl-3-(trifluoromethyl)-4H-pyrazol-3-ol?
The InChIKey is KEKFGNQLQZNJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4O3S/c1-10-13(9-21(2)19-10)26(24,25)22-14(23,15(16,17)18)8-12(20-22)11-6-4-3-5-7-11/h3-7,9,23H,8H2,1-2H3.
What are the key properties of 2-(1,3-dimethylpyrazol-4-yl)sulfonyl-5-phenyl-3-(trifluoromethyl)-4H-pyrazol-3-ol?
2-(1,3-dimethylpyrazol-4-yl)sulfonyl-5-phenyl-3-(trifluoromethyl)-4H-pyrazol-3-ol has a molecular weight of 388.37 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethylpyrazol-4-yl)sulfonyl-5-phenyl-3-(trifluoromethyl)-4H-pyrazol-3-ol is sourced from PubChem (CID 19587811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).