1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonylpiperazine

C9H13F3N4O2S — CID 170144107

IUPAC1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonylpiperazine
SMILESCn1nc(C(F)(F)F)cc1S(=O)(=O)N1CCNCC1
InChIInChI=1S/C9H13F3N4O2S/c1-15-8(6-7(14-15)9(10,11)12)19(17,18)16-4-2-13-3-5-16/h6,13H,2-5H2,1H3
InChIKeyBAZQJEZQQUDRDK-UHFFFAOYSA-N
MW298.29 g/mol
LogP0.03
Rot. Bonds2

About 1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonylpiperazine

1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonylpiperazine (PubChem CID 170144107) has the molecular formula C9H13F3N4O2S and a molecular weight of 298.29 g/mol. Its IUPAC name is 1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonylpiperazine.

Molecular Properties

Compound Name1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonylpiperazine
PubChem CID170144107
Molecular FormulaC9H13F3N4O2S
Molecular Weight298.29 g/mol
Exact Mass298.07
IUPAC Name1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonylpiperazine
SMILESCn1nc(C(F)(F)F)cc1S(=O)(=O)N1CCNCC1
InChIInChI=1S/C9H13F3N4O2S/c1-15-8(6-7(14-15)9(10,11)12)19(17,18)16-4-2-13-3-5-16/h6,13H,2-5H2,1H3
InChIKeyBAZQJEZQQUDRDK-UHFFFAOYSA-N
XLogP0.03
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonylpiperazine?
The IUPAC name of 1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonylpiperazine (CID 170144107) is 1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonylpiperazine.
What is the SMILES notation for 1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonylpiperazine?
The canonical SMILES for 1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonylpiperazine is Cn1nc(C(F)(F)F)cc1S(=O)(=O)N1CCNCC1.
What is the InChIKey of 1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonylpiperazine?
The InChIKey is BAZQJEZQQUDRDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4O2S/c1-15-8(6-7(14-15)9(10,11)12)19(17,18)16-4-2-13-3-5-16/h6,13H,2-5H2,1H3.
What are the key properties of 1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonylpiperazine?
1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonylpiperazine has a molecular weight of 298.29 g/mol, XLogP of 0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonylpiperazine is sourced from PubChem (CID 170144107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).