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

C14H17F3N6O3S — CID 19279485

IUPAC[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone
SMILESCn1cc(S(=O)(=O)N2CCN(C(=O)c3cc(C(F)(F)F)n(C)n3)CC2)cn1
InChIInChI=1S/C14H17F3N6O3S/c1-20-9-10(8-18-20)27(25,26)23-5-3-22(4-6-23)13(24)11-7-12(14(15,16)17)21(2)19-11/h7-9H,3-6H2,1-2H3
InChIKeyVSHJIVZELXAPTD-UHFFFAOYSA-N
MW406.39 g/mol
LogP0.32
Rot. Bonds3

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

[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone (PubChem CID 19279485) has the molecular formula C14H17F3N6O3S and a molecular weight of 406.39 g/mol. Its IUPAC name is [4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone.

Molecular Properties

Compound Name[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone
PubChem CID19279485
Molecular FormulaC14H17F3N6O3S
Molecular Weight406.39 g/mol
Exact Mass406.10
IUPAC Name[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone
SMILESCn1cc(S(=O)(=O)N2CCN(C(=O)c3cc(C(F)(F)F)n(C)n3)CC2)cn1
InChIInChI=1S/C14H17F3N6O3S/c1-20-9-10(8-18-20)27(25,26)23-5-3-22(4-6-23)13(24)11-7-12(14(15,16)17)21(2)19-11/h7-9H,3-6H2,1-2H3
InChIKeyVSHJIVZELXAPTD-UHFFFAOYSA-N
XLogP0.32
TPSA93.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.39
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 4772979
N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 17020976
N,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19575300
5-ethyl-2-{1-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]-4-piperidyl}-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-4-one
CID 53165415
(1,5-Dimethylpyrazol-3-yl)-[4-[[4-(trifluoromethyl)triazol-1-yl]methyl]piperidin-1-yl]methanone
CID 170285557
[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl](1H-pyrazol-1-yl)methanone
CID 4767920
1-{[1-(difluoromethyl)-5-methyl-1H-pyrazol-3-yl]carbonyl}-4-(ethylsulfonyl)piperazine
CID 17025342
1-{[1-(difluoromethyl)-5-methyl-1H-pyrazol-3-yl]carbonyl}-4-[(1-methyl-1H-pyrazol-4-yl)sulfonyl]piperazine
CID 17025398
[1-(difluoromethyl)-5-methyl-1H-pyrazol-3-yl]{4-[(1,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl}methanone
CID 17025405
N-[(1,5-dimethylpyrazol-4-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19278185
N-[(1,3-dimethylpyrazol-4-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19278186
N-[(1-ethylpyrazol-3-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19278191

Frequently Asked Questions

What is the IUPAC name of [4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone?
The IUPAC name of [4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone (CID 19279485) is [4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone.
What is the SMILES notation for [4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone?
The canonical SMILES for [4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone is Cn1cc(S(=O)(=O)N2CCN(C(=O)c3cc(C(F)(F)F)n(C)n3)CC2)cn1.
What is the InChIKey of [4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone?
The InChIKey is VSHJIVZELXAPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N6O3S/c1-20-9-10(8-18-20)27(25,26)23-5-3-22(4-6-23)13(24)11-7-12(14(15,16)17)21(2)19-11/h7-9H,3-6H2,1-2H3.
What are the key properties of [4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone?
[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone has a molecular weight of 406.39 g/mol, XLogP of 0.32, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone is sourced from PubChem (CID 19279485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).