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

C24H29F3N4O3S — CID 52913251

IUPAC2-[3-[1-ethyl-5-[4-(trifluoromethyl)phenoxy]pyrazol-3-yl]phenyl]-N-(propylsulfamoyl)propan-2-amine
SMILESCCCNS(=O)(=O)NC(C)(C)c1cccc(-c2cc(Oc3ccc(C(F)(F)F)cc3)n(CC)n2)c1
InChIInChI=1S/C24H29F3N4O3S/c1-5-14-28-35(32,33)30-23(3,4)19-9-7-8-17(15-19)21-16-22(31(6-2)29-21)34-20-12-10-18(11-13-20)24(25,26)27/h7-13,15-16,28,30H,5-6,14H2,1-4H3
InChIKeySILGRSNORODFIX-UHFFFAOYSA-N
MW510.58 g/mol
LogP5.45
Rot. Bonds10

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

2-[3-[1-ethyl-5-[4-(trifluoromethyl)phenoxy]pyrazol-3-yl]phenyl]-N-(propylsulfamoyl)propan-2-amine (PubChem CID 52913251) has the molecular formula C24H29F3N4O3S and a molecular weight of 510.58 g/mol. Its IUPAC name is 2-[3-[1-ethyl-5-[4-(trifluoromethyl)phenoxy]pyrazol-3-yl]phenyl]-N-(propylsulfamoyl)propan-2-amine.

Molecular Properties

Compound Name2-[3-[1-ethyl-5-[4-(trifluoromethyl)phenoxy]pyrazol-3-yl]phenyl]-N-(propylsulfamoyl)propan-2-amine
PubChem CID52913251
Molecular FormulaC24H29F3N4O3S
Molecular Weight510.58 g/mol
Exact Mass510.19
IUPAC Name2-[3-[1-ethyl-5-[4-(trifluoromethyl)phenoxy]pyrazol-3-yl]phenyl]-N-(propylsulfamoyl)propan-2-amine
SMILESCCCNS(=O)(=O)NC(C)(C)c1cccc(-c2cc(Oc3ccc(C(F)(F)F)cc3)n(CC)n2)c1
InChIInChI=1S/C24H29F3N4O3S/c1-5-14-28-35(32,33)30-23(3,4)19-9-7-8-17(15-19)21-16-22(31(6-2)29-21)34-20-12-10-18(11-13-20)24(25,26)27/h7-13,15-16,28,30H,5-6,14H2,1-4H3
InChIKeySILGRSNORODFIX-UHFFFAOYSA-N
XLogP5.45
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.58
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[3-[1-ethyl-5-[4-(trifluoromethyl)phenoxy]pyrazol-3-yl]phenyl]-N-(propylsulfamoyl)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-(propylsulfamoyl)propan-2-amine?
The IUPAC name of 2-[3-[1-ethyl-5-[4-(trifluoromethyl)phenoxy]pyrazol-3-yl]phenyl]-N-(propylsulfamoyl)propan-2-amine (CID 52913251) is 2-[3-[1-ethyl-5-[4-(trifluoromethyl)phenoxy]pyrazol-3-yl]phenyl]-N-(propylsulfamoyl)propan-2-amine.
What is the SMILES notation for 2-[3-[1-ethyl-5-[4-(trifluoromethyl)phenoxy]pyrazol-3-yl]phenyl]-N-(propylsulfamoyl)propan-2-amine?
The canonical SMILES for 2-[3-[1-ethyl-5-[4-(trifluoromethyl)phenoxy]pyrazol-3-yl]phenyl]-N-(propylsulfamoyl)propan-2-amine is CCCNS(=O)(=O)NC(C)(C)c1cccc(-c2cc(Oc3ccc(C(F)(F)F)cc3)n(CC)n2)c1.
What is the InChIKey of 2-[3-[1-ethyl-5-[4-(trifluoromethyl)phenoxy]pyrazol-3-yl]phenyl]-N-(propylsulfamoyl)propan-2-amine?
The InChIKey is SILGRSNORODFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F3N4O3S/c1-5-14-28-35(32,33)30-23(3,4)19-9-7-8-17(15-19)21-16-22(31(6-2)29-21)34-20-12-10-18(11-13-20)24(25,26)27/h7-13,15-16,28,30H,5-6,14H2,1-4H3.
What are the key properties of 2-[3-[1-ethyl-5-[4-(trifluoromethyl)phenoxy]pyrazol-3-yl]phenyl]-N-(propylsulfamoyl)propan-2-amine?
2-[3-[1-ethyl-5-[4-(trifluoromethyl)phenoxy]pyrazol-3-yl]phenyl]-N-(propylsulfamoyl)propan-2-amine has a molecular weight of 510.58 g/mol, XLogP of 5.45, 10 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-(propylsulfamoyl)propan-2-amine is sourced from PubChem (CID 52913251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).