1-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine

C21H22F3N5O3S — CID 90507660

IUPAC1-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine
SMILESCc1nn(-c2ccccn2)c(C)c1N1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C21H22F3N5O3S/c1-15-20(16(2)29(26-15)19-5-3-4-10-25-19)27-11-13-28(14-12-27)33(30,31)18-8-6-17(7-9-18)32-21(22,23)24/h3-10H,11-14H2,1-2H3
InChIKeyQMWUDBOOFKHEJM-UHFFFAOYSA-N
MW481.50 g/mol
LogP3.29
Rot. Bonds5

About 1-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine

1-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine (PubChem CID 90507660) has the molecular formula C21H22F3N5O3S and a molecular weight of 481.50 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine.

Molecular Properties

Compound Name1-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine
PubChem CID90507660
Molecular FormulaC21H22F3N5O3S
Molecular Weight481.50 g/mol
Exact Mass481.14
IUPAC Name1-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine
SMILESCc1nn(-c2ccccn2)c(C)c1N1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C21H22F3N5O3S/c1-15-20(16(2)29(26-15)19-5-3-4-10-25-19)27-11-13-28(14-12-27)33(30,31)18-8-6-17(7-9-18)32-21(22,23)24/h3-10H,11-14H2,1-2H3
InChIKeyQMWUDBOOFKHEJM-UHFFFAOYSA-N
XLogP3.29
TPSA80.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.50
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazin-1-yl]sulfonylphenyl]acetamide
CID 90507631
1-butylsulfonyl-4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazine
CID 90507644
N-pyridin-2-yl-6-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyridazin-3-amine
CID 121064974
1-(4-chlorophenyl)sulfonyl-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazine
CID 90507181
4-(2-methylimidazol-1-yl)-6-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyrimidine
CID 121074092
1-pyridin-2-yl-3-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]oxyurea
CID 44553622
N-tert-butyl-4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazine-1-carboxamide
CID 90508088
4-pyrazol-1-yl-6-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyrimidine
CID 121072473
1-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)-4-(pyridin-2-ylmethyl)piperazine
CID 90508074
1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonyl-4-pyridin-2-ylpiperazine
CID 19682926
2-methyl-5-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]oxypyridine
CID 90566588
1-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)-4-[(2-fluorophenyl)methyl]piperazine
CID 90508069

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine?
The IUPAC name of 1-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine (CID 90507660) is 1-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine.
What is the SMILES notation for 1-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine?
The canonical SMILES for 1-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine is Cc1nn(-c2ccccn2)c(C)c1N1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1.
What is the InChIKey of 1-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine?
The InChIKey is QMWUDBOOFKHEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N5O3S/c1-15-20(16(2)29(26-15)19-5-3-4-10-25-19)27-11-13-28(14-12-27)33(30,31)18-8-6-17(7-9-18)32-21(22,23)24/h3-10H,11-14H2,1-2H3.
What are the key properties of 1-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine?
1-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine has a molecular weight of 481.50 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine is sourced from PubChem (CID 90507660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).