2-[3-[1-ethyl-5-[4-(trifluoromethyl)phenoxy]pyrazol-3-yl]phenyl]-N-(methylsulfamoyl)propan-2-amine

C22H25F3N4O3S — CID 52913253

IUPAC2-[3-[1-ethyl-5-[4-(trifluoromethyl)phenoxy]pyrazol-3-yl]phenyl]-N-(methylsulfamoyl)propan-2-amine
SMILESCCn1nc(-c2cccc(C(C)(C)NS(=O)(=O)NC)c2)cc1Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H25F3N4O3S/c1-5-29-20(32-18-11-9-16(10-12-18)22(23,24)25)14-19(27-29)15-7-6-8-17(13-15)21(2,3)28-33(30,31)26-4/h6-14,26,28H,5H2,1-4H3
InChIKeyDCYLYAZCJBOLCN-UHFFFAOYSA-N
MW482.53 g/mol
LogP4.67
Rot. Bonds8

About 2-[3-[1-ethyl-5-[4-(trifluoromethyl)phenoxy]pyrazol-3-yl]phenyl]-N-(methylsulfamoyl)propan-2-amine

2-[3-[1-ethyl-5-[4-(trifluoromethyl)phenoxy]pyrazol-3-yl]phenyl]-N-(methylsulfamoyl)propan-2-amine (PubChem CID 52913253) has the molecular formula C22H25F3N4O3S and a molecular weight of 482.53 g/mol. Its IUPAC name is 2-[3-[1-ethyl-5-[4-(trifluoromethyl)phenoxy]pyrazol-3-yl]phenyl]-N-(methylsulfamoyl)propan-2-amine.

Molecular Properties

Compound Name2-[3-[1-ethyl-5-[4-(trifluoromethyl)phenoxy]pyrazol-3-yl]phenyl]-N-(methylsulfamoyl)propan-2-amine
PubChem CID52913253
Molecular FormulaC22H25F3N4O3S
Molecular Weight482.53 g/mol
Exact Mass482.16
IUPAC Name2-[3-[1-ethyl-5-[4-(trifluoromethyl)phenoxy]pyrazol-3-yl]phenyl]-N-(methylsulfamoyl)propan-2-amine
SMILESCCn1nc(-c2cccc(C(C)(C)NS(=O)(=O)NC)c2)cc1Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H25F3N4O3S/c1-5-29-20(32-18-11-9-16(10-12-18)22(23,24)25)14-19(27-29)15-7-6-8-17(13-15)21(2,3)28-33(30,31)26-4/h6-14,26,28H,5H2,1-4H3
InChIKeyDCYLYAZCJBOLCN-UHFFFAOYSA-N
XLogP4.67
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.53
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[3-[1-ethyl-5-[4-(trifluoromethyl)phenoxy]pyrazol-3-yl]phenyl]-N-(methylsulfamoyl)propan-2-amine 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 2-[3-[1-ethyl-5-[4-(trifluoromethyl)phenoxy]pyrazol-3-yl]phenyl]-N-(methylsulfamoyl)propan-2-amine?
The IUPAC name of 2-[3-[1-ethyl-5-[4-(trifluoromethyl)phenoxy]pyrazol-3-yl]phenyl]-N-(methylsulfamoyl)propan-2-amine (CID 52913253) is 2-[3-[1-ethyl-5-[4-(trifluoromethyl)phenoxy]pyrazol-3-yl]phenyl]-N-(methylsulfamoyl)propan-2-amine.
What is the SMILES notation for 2-[3-[1-ethyl-5-[4-(trifluoromethyl)phenoxy]pyrazol-3-yl]phenyl]-N-(methylsulfamoyl)propan-2-amine?
The canonical SMILES for 2-[3-[1-ethyl-5-[4-(trifluoromethyl)phenoxy]pyrazol-3-yl]phenyl]-N-(methylsulfamoyl)propan-2-amine is CCn1nc(-c2cccc(C(C)(C)NS(=O)(=O)NC)c2)cc1Oc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[3-[1-ethyl-5-[4-(trifluoromethyl)phenoxy]pyrazol-3-yl]phenyl]-N-(methylsulfamoyl)propan-2-amine?
The InChIKey is DCYLYAZCJBOLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N4O3S/c1-5-29-20(32-18-11-9-16(10-12-18)22(23,24)25)14-19(27-29)15-7-6-8-17(13-15)21(2,3)28-33(30,31)26-4/h6-14,26,28H,5H2,1-4H3.
What are the key properties of 2-[3-[1-ethyl-5-[4-(trifluoromethyl)phenoxy]pyrazol-3-yl]phenyl]-N-(methylsulfamoyl)propan-2-amine?
2-[3-[1-ethyl-5-[4-(trifluoromethyl)phenoxy]pyrazol-3-yl]phenyl]-N-(methylsulfamoyl)propan-2-amine has a molecular weight of 482.53 g/mol, XLogP of 4.67, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-ethyl-5-[4-(trifluoromethyl)phenoxy]pyrazol-3-yl]phenyl]-N-(methylsulfamoyl)propan-2-amine is sourced from PubChem (CID 52913253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).