1-thiophen-2-yl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentane-1-carboxamide

C16H18F3N3OS — CID 71808035

IUPAC1-thiophen-2-yl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentane-1-carboxamide
SMILESO=C(NCCn1ccc(C(F)(F)F)n1)C1(c2cccs2)CCCC1
InChIInChI=1S/C16H18F3N3OS/c17-16(18,19)12-5-9-22(21-12)10-8-20-14(23)15(6-1-2-7-15)13-4-3-11-24-13/h3-5,9,11H,1-2,6-8,10H2,(H,20,23)
InChIKeyNKJQAIBOIHANKD-UHFFFAOYSA-N
MW357.40 g/mol
LogP3.59
Rot. Bonds5

About 1-thiophen-2-yl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentane-1-carboxamide

1-thiophen-2-yl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentane-1-carboxamide (PubChem CID 71808035) has the molecular formula C16H18F3N3OS and a molecular weight of 357.40 g/mol. Its IUPAC name is 1-thiophen-2-yl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-thiophen-2-yl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentane-1-carboxamide
PubChem CID71808035
Molecular FormulaC16H18F3N3OS
Molecular Weight357.40 g/mol
Exact Mass357.11
IUPAC Name1-thiophen-2-yl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentane-1-carboxamide
SMILESO=C(NCCn1ccc(C(F)(F)F)n1)C1(c2cccs2)CCCC1
InChIInChI=1S/C16H18F3N3OS/c17-16(18,19)12-5-9-22(21-12)10-8-20-14(23)15(6-1-2-7-15)13-4-3-11-24-13/h3-5,9,11H,1-2,6-8,10H2,(H,20,23)
InChIKeyNKJQAIBOIHANKD-UHFFFAOYSA-N
XLogP3.59
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.40
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-thiophen-2-yl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-thiophen-2-yl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentane-1-carboxamide (CID 71808035) is 1-thiophen-2-yl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-thiophen-2-yl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-thiophen-2-yl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentane-1-carboxamide is O=C(NCCn1ccc(C(F)(F)F)n1)C1(c2cccs2)CCCC1.
What is the InChIKey of 1-thiophen-2-yl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentane-1-carboxamide?
The InChIKey is NKJQAIBOIHANKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3OS/c17-16(18,19)12-5-9-22(21-12)10-8-20-14(23)15(6-1-2-7-15)13-4-3-11-24-13/h3-5,9,11H,1-2,6-8,10H2,(H,20,23).
What are the key properties of 1-thiophen-2-yl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentane-1-carboxamide?
1-thiophen-2-yl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentane-1-carboxamide has a molecular weight of 357.40 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-2-yl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 71808035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).