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

C15H22F2N6O4S2 — CID 17022444

IUPAC1-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]sulfonyl-4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazine
SMILESCc1nn(C(F)F)c(C)c1S(=O)(=O)N1CCN(S(=O)(=O)c2cnn(C)c2C)CC1
InChIInChI=1S/C15H22F2N6O4S2/c1-10-14(12(3)23(19-10)15(16)17)29(26,27)22-7-5-21(6-8-22)28(24,25)13-9-18-20(4)11(13)2/h9,15H,5-8H2,1-4H3
InChIKeyAXMVTYFHJROGQU-UHFFFAOYSA-N
MW452.51 g/mol
LogP0.63
Rot. Bonds5

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

1-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]sulfonyl-4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazine (PubChem CID 17022444) has the molecular formula C15H22F2N6O4S2 and a molecular weight of 452.51 g/mol. Its IUPAC name is 1-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]sulfonyl-4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazine.

Molecular Properties

Compound Name1-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]sulfonyl-4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazine
PubChem CID17022444
Molecular FormulaC15H22F2N6O4S2
Molecular Weight452.51 g/mol
Exact Mass452.11
IUPAC Name1-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]sulfonyl-4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazine
SMILESCc1nn(C(F)F)c(C)c1S(=O)(=O)N1CCN(S(=O)(=O)c2cnn(C)c2C)CC1
InChIInChI=1S/C15H22F2N6O4S2/c1-10-14(12(3)23(19-10)15(16)17)29(26,27)22-7-5-21(6-8-22)28(24,25)13-9-18-20(4)11(13)2/h9,15H,5-8H2,1-4H3
InChIKeyAXMVTYFHJROGQU-UHFFFAOYSA-N
XLogP0.63
TPSA110.40 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.51
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]sulfonyl-4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazine?
The IUPAC name of 1-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]sulfonyl-4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazine (CID 17022444) is 1-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]sulfonyl-4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazine.
What is the SMILES notation for 1-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]sulfonyl-4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazine?
The canonical SMILES for 1-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]sulfonyl-4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazine is Cc1nn(C(F)F)c(C)c1S(=O)(=O)N1CCN(S(=O)(=O)c2cnn(C)c2C)CC1.
What is the InChIKey of 1-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]sulfonyl-4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazine?
The InChIKey is AXMVTYFHJROGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N6O4S2/c1-10-14(12(3)23(19-10)15(16)17)29(26,27)22-7-5-21(6-8-22)28(24,25)13-9-18-20(4)11(13)2/h9,15H,5-8H2,1-4H3.
What are the key properties of 1-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]sulfonyl-4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazine?
1-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]sulfonyl-4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazine has a molecular weight of 452.51 g/mol, XLogP of 0.63, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]sulfonyl-4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazine is sourced from PubChem (CID 17022444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).