1-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonyl-4-methylpiperidine

C11H17F2N3O2S — CID 19614466

IUPAC1-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonyl-4-methylpiperidine
SMILESCc1c(S(=O)(=O)N2CCC(C)CC2)cnn1C(F)F
InChIInChI=1S/C11H17F2N3O2S/c1-8-3-5-15(6-4-8)19(17,18)10-7-14-16(9(10)2)11(12)13/h7-8,11H,3-6H2,1-2H3
InChIKeyRDCXUBSPIHAWEP-UHFFFAOYSA-N
MW293.34 g/mol
LogP2.01
Rot. Bonds3

About 1-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonyl-4-methylpiperidine

1-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonyl-4-methylpiperidine (PubChem CID 19614466) has the molecular formula C11H17F2N3O2S and a molecular weight of 293.34 g/mol. Its IUPAC name is 1-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonyl-4-methylpiperidine.

Molecular Properties

Compound Name1-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonyl-4-methylpiperidine
PubChem CID19614466
Molecular FormulaC11H17F2N3O2S
Molecular Weight293.34 g/mol
Exact Mass293.10
IUPAC Name1-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonyl-4-methylpiperidine
SMILESCc1c(S(=O)(=O)N2CCC(C)CC2)cnn1C(F)F
InChIInChI=1S/C11H17F2N3O2S/c1-8-3-5-15(6-4-8)19(17,18)10-7-14-16(9(10)2)11(12)13/h7-8,11H,3-6H2,1-2H3
InChIKeyRDCXUBSPIHAWEP-UHFFFAOYSA-N
XLogP2.01
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonyl-4-methylpiperidine?
The IUPAC name of 1-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonyl-4-methylpiperidine (CID 19614466) is 1-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonyl-4-methylpiperidine.
What is the SMILES notation for 1-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonyl-4-methylpiperidine?
The canonical SMILES for 1-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonyl-4-methylpiperidine is Cc1c(S(=O)(=O)N2CCC(C)CC2)cnn1C(F)F.
What is the InChIKey of 1-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonyl-4-methylpiperidine?
The InChIKey is RDCXUBSPIHAWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N3O2S/c1-8-3-5-15(6-4-8)19(17,18)10-7-14-16(9(10)2)11(12)13/h7-8,11H,3-6H2,1-2H3.
What are the key properties of 1-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonyl-4-methylpiperidine?
1-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonyl-4-methylpiperidine has a molecular weight of 293.34 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonyl-4-methylpiperidine is sourced from PubChem (CID 19614466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).