1-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethanone

C15H19F3N6O3S — CID 19527393

IUPAC1-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethanone
SMILESCc1cc(C(F)(F)F)n(CC(=O)N2CCN(S(=O)(=O)c3cnn(C)c3)CC2)n1
InChIInChI=1S/C15H19F3N6O3S/c1-11-7-13(15(16,17)18)24(20-11)10-14(25)22-3-5-23(6-4-22)28(26,27)12-8-19-21(2)9-12/h7-9H,3-6,10H2,1-2H3
InChIKeySVWJAIHAAJFRQU-UHFFFAOYSA-N
MW420.42 g/mol
LogP0.48
Rot. Bonds4

About 1-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethanone

1-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethanone (PubChem CID 19527393) has the molecular formula C15H19F3N6O3S and a molecular weight of 420.42 g/mol. Its IUPAC name is 1-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethanone
PubChem CID19527393
Molecular FormulaC15H19F3N6O3S
Molecular Weight420.42 g/mol
Exact Mass420.12
IUPAC Name1-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethanone
SMILESCc1cc(C(F)(F)F)n(CC(=O)N2CCN(S(=O)(=O)c3cnn(C)c3)CC2)n1
InChIInChI=1S/C15H19F3N6O3S/c1-11-7-13(15(16,17)18)24(20-11)10-14(25)22-3-5-23(6-4-22)28(26,27)12-8-19-21(2)9-12/h7-9H,3-6,10H2,1-2H3
InChIKeySVWJAIHAAJFRQU-UHFFFAOYSA-N
XLogP0.48
TPSA93.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.42
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(5-methylpyrazol-1-yl)-1-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]ethanone
CID 19527465
2-[2-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19485690
[3-chloro-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone
CID 19441469
1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone
CID 27020026
[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 19478252
1-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 19531297
(4-bromo-1,5-dimethylpyrazol-3-yl)-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone
CID 19279365
4-(azetidin-1-ylsulfonyl)-1-methylpyrazole
CID 141430347
2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone
CID 19531302
N-(1,5-dimethylpyrazol-4-yl)-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19521871
1-(1,5-dimethylpyrazol-4-yl)sulfonyl-4-(1-methylpyrazol-4-yl)sulfonylpiperazine
CID 17022437
3-[2-[4-(1-methylpyrazol-4-yl)sulfonyl-1,4-diazepan-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
CID 86266950

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethanone?
The IUPAC name of 1-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethanone (CID 19527393) is 1-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethanone.
What is the SMILES notation for 1-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethanone?
The canonical SMILES for 1-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethanone is Cc1cc(C(F)(F)F)n(CC(=O)N2CCN(S(=O)(=O)c3cnn(C)c3)CC2)n1.
What is the InChIKey of 1-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethanone?
The InChIKey is SVWJAIHAAJFRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N6O3S/c1-11-7-13(15(16,17)18)24(20-11)10-14(25)22-3-5-23(6-4-22)28(26,27)12-8-19-21(2)9-12/h7-9H,3-6,10H2,1-2H3.
What are the key properties of 1-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethanone?
1-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethanone has a molecular weight of 420.42 g/mol, XLogP of 0.48, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]ethanone is sourced from PubChem (CID 19527393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).