1-ethyl-3,5-dimethyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyrazole-4-sulfonamide

C18H25F3N6O2S — CID 119102256

IUPAC1-ethyl-3,5-dimethyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyrazole-4-sulfonamide
SMILESCCn1nc(C)c(S(=O)(=O)NC2CCN(c3cc(C(F)(F)F)nc(C)n3)CC2)c1C
InChIInChI=1S/C18H25F3N6O2S/c1-5-27-12(3)17(11(2)24-27)30(28,29)25-14-6-8-26(9-7-14)16-10-15(18(19,20)21)22-13(4)23-16/h10,14,25H,5-9H2,1-4H3
InChIKeyQVVLVQCHKVDQMV-UHFFFAOYSA-N
MW446.50 g/mol
LogP2.58
Rot. Bonds5

About 1-ethyl-3,5-dimethyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyrazole-4-sulfonamide

1-ethyl-3,5-dimethyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyrazole-4-sulfonamide (PubChem CID 119102256) has the molecular formula C18H25F3N6O2S and a molecular weight of 446.50 g/mol. Its IUPAC name is 1-ethyl-3,5-dimethyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-3,5-dimethyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyrazole-4-sulfonamide
PubChem CID119102256
Molecular FormulaC18H25F3N6O2S
Molecular Weight446.50 g/mol
Exact Mass446.17
IUPAC Name1-ethyl-3,5-dimethyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyrazole-4-sulfonamide
SMILESCCn1nc(C)c(S(=O)(=O)NC2CCN(c3cc(C(F)(F)F)nc(C)n3)CC2)c1C
InChIInChI=1S/C18H25F3N6O2S/c1-5-27-12(3)17(11(2)24-27)30(28,29)25-14-6-8-26(9-7-14)16-10-15(18(19,20)21)22-13(4)23-16/h10,14,25H,5-9H2,1-4H3
InChIKeyQVVLVQCHKVDQMV-UHFFFAOYSA-N
XLogP2.58
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.50
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-ethyl-3,5-dimethyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyrazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3,5-dimethyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-3,5-dimethyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyrazole-4-sulfonamide (CID 119102256) is 1-ethyl-3,5-dimethyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-3,5-dimethyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-3,5-dimethyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyrazole-4-sulfonamide is CCn1nc(C)c(S(=O)(=O)NC2CCN(c3cc(C(F)(F)F)nc(C)n3)CC2)c1C.
What is the InChIKey of 1-ethyl-3,5-dimethyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyrazole-4-sulfonamide?
The InChIKey is QVVLVQCHKVDQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3N6O2S/c1-5-27-12(3)17(11(2)24-27)30(28,29)25-14-6-8-26(9-7-14)16-10-15(18(19,20)21)22-13(4)23-16/h10,14,25H,5-9H2,1-4H3.
What are the key properties of 1-ethyl-3,5-dimethyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyrazole-4-sulfonamide?
1-ethyl-3,5-dimethyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyrazole-4-sulfonamide has a molecular weight of 446.50 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,5-dimethyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyrazole-4-sulfonamide is sourced from PubChem (CID 119102256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).