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

C18H20F3N3OS — CID 71807752

IUPAC2-benzylsulfanyl-N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide
SMILESO=C(CSCc1ccccc1)NCCn1nc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C18H20F3N3OS/c19-18(20,21)16-10-15(14-6-7-14)24(23-16)9-8-22-17(25)12-26-11-13-4-2-1-3-5-13/h1-5,10,14H,6-9,11-12H2,(H,22,25)
InChIKeyYSNFQTSZWJPFQC-UHFFFAOYSA-N
MW383.44 g/mol
LogP3.83
Rot. Bonds8

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

2-benzylsulfanyl-N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide (PubChem CID 71807752) has the molecular formula C18H20F3N3OS and a molecular weight of 383.44 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-benzylsulfanyl-N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide
PubChem CID71807752
Molecular FormulaC18H20F3N3OS
Molecular Weight383.44 g/mol
Exact Mass383.13
IUPAC Name2-benzylsulfanyl-N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide
SMILESO=C(CSCc1ccccc1)NCCn1nc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C18H20F3N3OS/c19-18(20,21)16-10-15(14-6-7-14)24(23-16)9-8-22-17(25)12-26-11-13-4-2-1-3-5-13/h1-5,10,14H,6-9,11-12H2,(H,22,25)
InChIKeyYSNFQTSZWJPFQC-UHFFFAOYSA-N
XLogP3.83
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 ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-benzylsulfanyl-N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-benzyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 653962
2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(2-methylphenyl)acetamide
CID 844032
5-Cyclopropyl-N-(2,5-dimethylphenyl)-3-(trifluoromethyl)-1H-pyrazole-1-acetamide
CID 843371
2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(3-methylphenyl)acetamide
CID 4766015
2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(2-fluorophenyl)acetamide
CID 4766250
2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(2-ethylphenyl)acetamide
CID 843392
2-[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]-N-(2-fluorobenzyl)acetamide
CID 1225415
2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(2-fluorobenzyl)acetamide
CID 4765842
2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(2-phenylethyl)acetamide
CID 815378
2-[2-[[(1S,4S)-4-[3,5-dimethyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]cyclopent-2-en-1-yl]amino]-2-oxoethyl]sulfanylacetic acid
CID 26743428
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 32280159
N1-(2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl)-N2-(4-fluorobenzyl)oxalamide
CID 45584792

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide?
The IUPAC name of 2-benzylsulfanyl-N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide (CID 71807752) is 2-benzylsulfanyl-N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide.
What is the SMILES notation for 2-benzylsulfanyl-N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide?
The canonical SMILES for 2-benzylsulfanyl-N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide is O=C(CSCc1ccccc1)NCCn1nc(C(F)(F)F)cc1C1CC1.
What is the InChIKey of 2-benzylsulfanyl-N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide?
The InChIKey is YSNFQTSZWJPFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3OS/c19-18(20,21)16-10-15(14-6-7-14)24(23-16)9-8-22-17(25)12-26-11-13-4-2-1-3-5-13/h1-5,10,14H,6-9,11-12H2,(H,22,25).
What are the key properties of 2-benzylsulfanyl-N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide?
2-benzylsulfanyl-N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide has a molecular weight of 383.44 g/mol, XLogP of 3.83, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide is sourced from PubChem (CID 71807752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).