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

C14H20F2N6O4S2 — CID 17022445

IUPAC1-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]sulfonyl-4-(1-methylpyrazol-4-yl)sulfonylpiperazine
SMILESCc1nn(C(F)F)c(C)c1S(=O)(=O)N1CCN(S(=O)(=O)c2cnn(C)c2)CC1
InChIInChI=1S/C14H20F2N6O4S2/c1-10-13(11(2)22(18-10)14(15)16)28(25,26)21-6-4-20(5-7-21)27(23,24)12-8-17-19(3)9-12/h8-9,14H,4-7H2,1-3H3
InChIKeyBMFRFEUFSJBSFL-UHFFFAOYSA-N
MW438.48 g/mol
LogP0.32
Rot. Bonds5

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

1-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]sulfonyl-4-(1-methylpyrazol-4-yl)sulfonylpiperazine (PubChem CID 17022445) has the molecular formula C14H20F2N6O4S2 and a molecular weight of 438.48 g/mol. Its IUPAC name is 1-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]sulfonyl-4-(1-methylpyrazol-4-yl)sulfonylpiperazine.

Molecular Properties

Compound Name1-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]sulfonyl-4-(1-methylpyrazol-4-yl)sulfonylpiperazine
PubChem CID17022445
Molecular FormulaC14H20F2N6O4S2
Molecular Weight438.48 g/mol
Exact Mass438.10
IUPAC Name1-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]sulfonyl-4-(1-methylpyrazol-4-yl)sulfonylpiperazine
SMILESCc1nn(C(F)F)c(C)c1S(=O)(=O)N1CCN(S(=O)(=O)c2cnn(C)c2)CC1
InChIInChI=1S/C14H20F2N6O4S2/c1-10-13(11(2)22(18-10)14(15)16)28(25,26)21-6-4-20(5-7-21)27(23,24)12-8-17-19(3)9-12/h8-9,14H,4-7H2,1-3H3
InChIKeyBMFRFEUFSJBSFL-UHFFFAOYSA-N
XLogP0.32
TPSA110.40 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 50.32
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-methylpyrazol-4-yl)sulfonylpiperazine?
The IUPAC name of 1-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]sulfonyl-4-(1-methylpyrazol-4-yl)sulfonylpiperazine (CID 17022445) is 1-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]sulfonyl-4-(1-methylpyrazol-4-yl)sulfonylpiperazine.
What is the SMILES notation for 1-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]sulfonyl-4-(1-methylpyrazol-4-yl)sulfonylpiperazine?
The canonical SMILES for 1-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]sulfonyl-4-(1-methylpyrazol-4-yl)sulfonylpiperazine is Cc1nn(C(F)F)c(C)c1S(=O)(=O)N1CCN(S(=O)(=O)c2cnn(C)c2)CC1.
What is the InChIKey of 1-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]sulfonyl-4-(1-methylpyrazol-4-yl)sulfonylpiperazine?
The InChIKey is BMFRFEUFSJBSFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N6O4S2/c1-10-13(11(2)22(18-10)14(15)16)28(25,26)21-6-4-20(5-7-21)27(23,24)12-8-17-19(3)9-12/h8-9,14H,4-7H2,1-3H3.
What are the key properties of 1-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]sulfonyl-4-(1-methylpyrazol-4-yl)sulfonylpiperazine?
1-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]sulfonyl-4-(1-methylpyrazol-4-yl)sulfonylpiperazine has a molecular weight of 438.48 g/mol, XLogP of 0.32, 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-methylpyrazol-4-yl)sulfonylpiperazine is sourced from PubChem (CID 17022445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).