N-[1,3-dimethyl-4-(trifluoromethyl)pyrazol-5-yl]thiomorpholine-4-carboxamide

C11H15F3N4OS — CID 154759631

IUPACN-[1,3-dimethyl-4-(trifluoromethyl)pyrazol-5-yl]thiomorpholine-4-carboxamide
SMILESCc1nn(C)c(NC(=O)N2CCSCC2)c1C(F)(F)F
InChIInChI=1S/C11H15F3N4OS/c1-7-8(11(12,13)14)9(17(2)16-7)15-10(19)18-3-5-20-6-4-18/h3-6H2,1-2H3,(H,15,19)
InChIKeyPHRUIQWZIDUBQG-UHFFFAOYSA-N
MW308.33 g/mol
LogP2.33
Rot. Bonds1

About N-[1,3-dimethyl-4-(trifluoromethyl)pyrazol-5-yl]thiomorpholine-4-carboxamide

N-[1,3-dimethyl-4-(trifluoromethyl)pyrazol-5-yl]thiomorpholine-4-carboxamide (PubChem CID 154759631) has the molecular formula C11H15F3N4OS and a molecular weight of 308.33 g/mol. Its IUPAC name is N-[1,3-dimethyl-4-(trifluoromethyl)pyrazol-5-yl]thiomorpholine-4-carboxamide.

Molecular Properties

Compound NameN-[1,3-dimethyl-4-(trifluoromethyl)pyrazol-5-yl]thiomorpholine-4-carboxamide
PubChem CID154759631
Molecular FormulaC11H15F3N4OS
Molecular Weight308.33 g/mol
Exact Mass308.09
IUPAC NameN-[1,3-dimethyl-4-(trifluoromethyl)pyrazol-5-yl]thiomorpholine-4-carboxamide
SMILESCc1nn(C)c(NC(=O)N2CCSCC2)c1C(F)(F)F
InChIInChI=1S/C11H15F3N4OS/c1-7-8(11(12,13)14)9(17(2)16-7)15-10(19)18-3-5-20-6-4-18/h3-6H2,1-2H3,(H,15,19)
InChIKeyPHRUIQWZIDUBQG-UHFFFAOYSA-N
XLogP2.33
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1,3-dimethyl-4-(trifluoromethyl)pyrazol-5-yl]thiomorpholine-4-carboxamide 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 N-[1,3-dimethyl-4-(trifluoromethyl)pyrazol-5-yl]thiomorpholine-4-carboxamide?
The IUPAC name of N-[1,3-dimethyl-4-(trifluoromethyl)pyrazol-5-yl]thiomorpholine-4-carboxamide (CID 154759631) is N-[1,3-dimethyl-4-(trifluoromethyl)pyrazol-5-yl]thiomorpholine-4-carboxamide.
What is the SMILES notation for N-[1,3-dimethyl-4-(trifluoromethyl)pyrazol-5-yl]thiomorpholine-4-carboxamide?
The canonical SMILES for N-[1,3-dimethyl-4-(trifluoromethyl)pyrazol-5-yl]thiomorpholine-4-carboxamide is Cc1nn(C)c(NC(=O)N2CCSCC2)c1C(F)(F)F.
What is the InChIKey of N-[1,3-dimethyl-4-(trifluoromethyl)pyrazol-5-yl]thiomorpholine-4-carboxamide?
The InChIKey is PHRUIQWZIDUBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4OS/c1-7-8(11(12,13)14)9(17(2)16-7)15-10(19)18-3-5-20-6-4-18/h3-6H2,1-2H3,(H,15,19).
What are the key properties of N-[1,3-dimethyl-4-(trifluoromethyl)pyrazol-5-yl]thiomorpholine-4-carboxamide?
N-[1,3-dimethyl-4-(trifluoromethyl)pyrazol-5-yl]thiomorpholine-4-carboxamide has a molecular weight of 308.33 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,3-dimethyl-4-(trifluoromethyl)pyrazol-5-yl]thiomorpholine-4-carboxamide is sourced from PubChem (CID 154759631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).