N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-phenylsulfanylpropanamide

C18H20F3N3OS — CID 71807753

IUPACN-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-phenylsulfanylpropanamide
SMILESO=C(CCSc1ccccc1)NCCn1nc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C18H20F3N3OS/c19-18(20,21)16-12-15(13-6-7-13)24(23-16)10-9-22-17(25)8-11-26-14-4-2-1-3-5-14/h1-5,12-13H,6-11H2,(H,22,25)
InChIKeyDZWKBXKDUPVLMB-UHFFFAOYSA-N
MW383.44 g/mol
LogP4.08
Rot. Bonds8

About N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-phenylsulfanylpropanamide

N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-phenylsulfanylpropanamide (PubChem CID 71807753) has the molecular formula C18H20F3N3OS and a molecular weight of 383.44 g/mol. Its IUPAC name is N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-phenylsulfanylpropanamide
PubChem CID71807753
Molecular FormulaC18H20F3N3OS
Molecular Weight383.44 g/mol
Exact Mass383.13
IUPAC NameN-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-phenylsulfanylpropanamide
SMILESO=C(CCSc1ccccc1)NCCn1nc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C18H20F3N3OS/c19-18(20,21)16-12-15(13-6-7-13)24(23-16)10-9-22-17(25)8-11-26-14-4-2-1-3-5-14/h1-5,12-13H,6-11H2,(H,22,25)
InChIKeyDZWKBXKDUPVLMB-UHFFFAOYSA-N
XLogP4.08
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-phenylsulfanylpropanamide 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-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-phenylsulfanylpropanamide?
The IUPAC name of N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-phenylsulfanylpropanamide (CID 71807753) is N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-phenylsulfanylpropanamide.
What is the SMILES notation for N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-phenylsulfanylpropanamide?
The canonical SMILES for N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-phenylsulfanylpropanamide is O=C(CCSc1ccccc1)NCCn1nc(C(F)(F)F)cc1C1CC1.
What is the InChIKey of N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-phenylsulfanylpropanamide?
The InChIKey is DZWKBXKDUPVLMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3OS/c19-18(20,21)16-12-15(13-6-7-13)24(23-16)10-9-22-17(25)8-11-26-14-4-2-1-3-5-14/h1-5,12-13H,6-11H2,(H,22,25).
What are the key properties of N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-phenylsulfanylpropanamide?
N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-phenylsulfanylpropanamide has a molecular weight of 383.44 g/mol, XLogP of 4.08, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-phenylsulfanylpropanamide is sourced from PubChem (CID 71807753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).