1-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazine

C15H22F2N6O2S — CID 126799700

IUPAC1-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazine
SMILESCc1nc(S(=O)(=O)N2CCN(Cc3cnn(CC(F)F)c3)CC2)cn1C
InChIInChI=1S/C15H22F2N6O2S/c1-12-19-15(11-20(12)2)26(24,25)23-5-3-21(4-6-23)8-13-7-18-22(9-13)10-14(16)17/h7,9,11,14H,3-6,8,10H2,1-2H3
InChIKeyJUMAAQUONVCDTA-UHFFFAOYSA-N
MW388.44 g/mol
LogP0.70
Rot. Bonds6

About 1-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazine

1-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazine (PubChem CID 126799700) has the molecular formula C15H22F2N6O2S and a molecular weight of 388.44 g/mol. Its IUPAC name is 1-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazine.

Molecular Properties

Compound Name1-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazine
PubChem CID126799700
Molecular FormulaC15H22F2N6O2S
Molecular Weight388.44 g/mol
Exact Mass388.15
IUPAC Name1-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazine
SMILESCc1nc(S(=O)(=O)N2CCN(Cc3cnn(CC(F)F)c3)CC2)cn1C
InChIInChI=1S/C15H22F2N6O2S/c1-12-19-15(11-20(12)2)26(24,25)23-5-3-21(4-6-23)8-13-7-18-22(9-13)10-14(16)17/h7,9,11,14H,3-6,8,10H2,1-2H3
InChIKeyJUMAAQUONVCDTA-UHFFFAOYSA-N
XLogP0.70
TPSA76.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.44
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(2-methyl-1H-imidazol-1-yl)methyl]-1-[(1-methyl-1H-pyrazol-4-yl)sulfonyl]piperidine formate
CID 110250603
N,N-dimethyl-2-(2-{1-[(1-methyl-1H-pyrazol-4-yl)sulfonyl]-4-piperidinyl}-1H-imidazol-1-yl)ethanamine
CID 72849584
1-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]-4-[(5-methyl-1-propyl-1H-imidazol-2-yl)methyl]piperidine
CID 91923935
1-[[1-(Difluoromethyl)imidazol-2-yl]methyl]-4-(1,4-dimethylpyrazol-5-yl)sulfonylpiperazine
CID 128360949
1-[[1-(Difluoromethyl)imidazol-2-yl]methyl]pyrazole-4-sulfonyl chloride
CID 82911189
1-(2,2-difluoroethyl)-N-methyl-N-pyrazin-2-ylpyrazole-4-sulfonamide
CID 99802705
2-(1-Methylimidazol-2-yl)-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]sulfonylpiperazine;hydrochloride
CID 120894451
2-(1-Methylimidazol-2-yl)-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]sulfonylpiperazine
CID 120894452
1-[1-(2,2-Difluoroethyl)pyrazol-4-yl]sulfonyl-2-(1-methylimidazol-2-yl)piperazine
CID 120894756
1-propan-2-yl-N-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazole-4-sulfonamide
CID 126833360
1-methyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrazole-4-sulfonamide
CID 129338623
1-methyl-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrazole-4-sulfonamide
CID 129338624

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazine?
The IUPAC name of 1-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazine (CID 126799700) is 1-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazine.
What is the SMILES notation for 1-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazine?
The canonical SMILES for 1-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazine is Cc1nc(S(=O)(=O)N2CCN(Cc3cnn(CC(F)F)c3)CC2)cn1C.
What is the InChIKey of 1-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazine?
The InChIKey is JUMAAQUONVCDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N6O2S/c1-12-19-15(11-20(12)2)26(24,25)23-5-3-21(4-6-23)8-13-7-18-22(9-13)10-14(16)17/h7,9,11,14H,3-6,8,10H2,1-2H3.
What are the key properties of 1-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazine?
1-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazine has a molecular weight of 388.44 g/mol, XLogP of 0.70, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazine is sourced from PubChem (CID 126799700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).