1-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]sulfonylpiperazine

C10H16F2N4O2S — CID 25247678

IUPAC1-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]sulfonylpiperazine
SMILESCc1nn(C(F)F)c(C)c1S(=O)(=O)N1CCNCC1
InChIInChI=1S/C10H16F2N4O2S/c1-7-9(8(2)16(14-7)10(11)12)19(17,18)15-5-3-13-4-6-15/h10,13H,3-6H2,1-2H3
InChIKeyZHVWULMGBIEEOI-UHFFFAOYSA-N
MW294.33 g/mol
LogP0.49
Rot. Bonds3

About 1-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]sulfonylpiperazine

1-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]sulfonylpiperazine (PubChem CID 25247678) has the molecular formula C10H16F2N4O2S and a molecular weight of 294.33 g/mol. Its IUPAC name is 1-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]sulfonylpiperazine.

Molecular Properties

Compound Name1-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]sulfonylpiperazine
PubChem CID25247678
Molecular FormulaC10H16F2N4O2S
Molecular Weight294.33 g/mol
Exact Mass294.10
IUPAC Name1-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]sulfonylpiperazine
SMILESCc1nn(C(F)F)c(C)c1S(=O)(=O)N1CCNCC1
InChIInChI=1S/C10H16F2N4O2S/c1-7-9(8(2)16(14-7)10(11)12)19(17,18)15-5-3-13-4-6-15/h10,13H,3-6H2,1-2H3
InChIKeyZHVWULMGBIEEOI-UHFFFAOYSA-N
XLogP0.49
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]sulfonylpiperazine?
The IUPAC name of 1-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]sulfonylpiperazine (CID 25247678) is 1-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]sulfonylpiperazine.
What is the SMILES notation for 1-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]sulfonylpiperazine?
The canonical SMILES for 1-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]sulfonylpiperazine is Cc1nn(C(F)F)c(C)c1S(=O)(=O)N1CCNCC1.
What is the InChIKey of 1-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]sulfonylpiperazine?
The InChIKey is ZHVWULMGBIEEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N4O2S/c1-7-9(8(2)16(14-7)10(11)12)19(17,18)15-5-3-13-4-6-15/h10,13H,3-6H2,1-2H3.
What are the key properties of 1-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]sulfonylpiperazine?
1-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]sulfonylpiperazine has a molecular weight of 294.33 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]sulfonylpiperazine is sourced from PubChem (CID 25247678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).