1-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyrazole-4-sulfonamide

C15H19F3N6O2S — CID 126853581

IUPAC1-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyrazole-4-sulfonamide
SMILESCc1nc(N2CCC(NS(=O)(=O)c3cnn(C)c3)CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C15H19F3N6O2S/c1-10-20-13(15(16,17)18)7-14(21-10)24-5-3-11(4-6-24)22-27(25,26)12-8-19-23(2)9-12/h7-9,11,22H,3-6H2,1-2H3
InChIKeyKCQUUMUQARLATG-UHFFFAOYSA-N
MW404.42 g/mol
LogP1.48
Rot. Bonds4

About 1-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyrazole-4-sulfonamide

1-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyrazole-4-sulfonamide (PubChem CID 126853581) has the molecular formula C15H19F3N6O2S and a molecular weight of 404.42 g/mol. Its IUPAC name is 1-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyrazole-4-sulfonamide
PubChem CID126853581
Molecular FormulaC15H19F3N6O2S
Molecular Weight404.42 g/mol
Exact Mass404.12
IUPAC Name1-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyrazole-4-sulfonamide
SMILESCc1nc(N2CCC(NS(=O)(=O)c3cnn(C)c3)CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C15H19F3N6O2S/c1-10-20-13(15(16,17)18)7-14(21-10)24-5-3-11(4-6-24)22-27(25,26)12-8-19-23(2)9-12/h7-9,11,22H,3-6H2,1-2H3
InChIKeyKCQUUMUQARLATG-UHFFFAOYSA-N
XLogP1.48
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.42
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyrazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyrazole-4-sulfonamide (CID 126853581) is 1-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyrazole-4-sulfonamide is Cc1nc(N2CCC(NS(=O)(=O)c3cnn(C)c3)CC2)cc(C(F)(F)F)n1.
What is the InChIKey of 1-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyrazole-4-sulfonamide?
The InChIKey is KCQUUMUQARLATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N6O2S/c1-10-20-13(15(16,17)18)7-14(21-10)24-5-3-11(4-6-24)22-27(25,26)12-8-19-23(2)9-12/h7-9,11,22H,3-6H2,1-2H3.
What are the key properties of 1-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyrazole-4-sulfonamide?
1-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyrazole-4-sulfonamide has a molecular weight of 404.42 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyrazole-4-sulfonamide is sourced from PubChem (CID 126853581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).