N-cyclopentyl-2-thiophen-2-yl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide

C17H20F3N3OS — CID 121020229

IUPACN-cyclopentyl-2-thiophen-2-yl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide
SMILESO=C(Cc1cccs1)N(CCn1ccc(C(F)(F)F)n1)C1CCCC1
InChIInChI=1S/C17H20F3N3OS/c18-17(19,20)15-7-8-22(21-15)9-10-23(13-4-1-2-5-13)16(24)12-14-6-3-11-25-14/h3,6-8,11,13H,1-2,4-5,9-10,12H2
InChIKeyWEKNNUQWJUHTGH-UHFFFAOYSA-N
MW371.43 g/mol
LogP3.98
Rot. Bonds6

About N-cyclopentyl-2-thiophen-2-yl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide

N-cyclopentyl-2-thiophen-2-yl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide (PubChem CID 121020229) has the molecular formula C17H20F3N3OS and a molecular weight of 371.43 g/mol. Its IUPAC name is N-cyclopentyl-2-thiophen-2-yl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-thiophen-2-yl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide
PubChem CID121020229
Molecular FormulaC17H20F3N3OS
Molecular Weight371.43 g/mol
Exact Mass371.13
IUPAC NameN-cyclopentyl-2-thiophen-2-yl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide
SMILESO=C(Cc1cccs1)N(CCn1ccc(C(F)(F)F)n1)C1CCCC1
InChIInChI=1S/C17H20F3N3OS/c18-17(19,20)15-7-8-22(21-15)9-10-23(13-4-1-2-5-13)16(24)12-14-6-3-11-25-14/h3,6-8,11,13H,1-2,4-5,9-10,12H2
InChIKeyWEKNNUQWJUHTGH-UHFFFAOYSA-N
XLogP3.98
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-thiophen-2-yl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide?
The IUPAC name of N-cyclopentyl-2-thiophen-2-yl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide (CID 121020229) is N-cyclopentyl-2-thiophen-2-yl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-thiophen-2-yl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide?
The canonical SMILES for N-cyclopentyl-2-thiophen-2-yl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide is O=C(Cc1cccs1)N(CCn1ccc(C(F)(F)F)n1)C1CCCC1.
What is the InChIKey of N-cyclopentyl-2-thiophen-2-yl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide?
The InChIKey is WEKNNUQWJUHTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N3OS/c18-17(19,20)15-7-8-22(21-15)9-10-23(13-4-1-2-5-13)16(24)12-14-6-3-11-25-14/h3,6-8,11,13H,1-2,4-5,9-10,12H2.
What are the key properties of N-cyclopentyl-2-thiophen-2-yl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide?
N-cyclopentyl-2-thiophen-2-yl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide has a molecular weight of 371.43 g/mol, XLogP of 3.98, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-thiophen-2-yl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide is sourced from PubChem (CID 121020229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).