N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

C16H16F3N3O — CID 4878876

IUPACN-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESO=C(Cn1ccc(C(F)(F)F)n1)NC1CCCc2ccccc21
InChIInChI=1S/C16H16F3N3O/c17-16(18,19)14-8-9-22(21-14)10-15(23)20-13-7-3-5-11-4-1-2-6-12(11)13/h1-2,4,6,8-9,13H,3,5,7,10H2,(H,20,23)
InChIKeyFCPYDMPNRAGLFT-UHFFFAOYSA-N
MW323.32 g/mol
LogP3.10
Rot. Bonds3

About N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 4878876) has the molecular formula C16H16F3N3O and a molecular weight of 323.32 g/mol. Its IUPAC name is N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID4878876
Molecular FormulaC16H16F3N3O
Molecular Weight323.32 g/mol
Exact Mass323.12
IUPAC NameN-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESO=C(Cn1ccc(C(F)(F)F)n1)NC1CCCc2ccccc21
InChIInChI=1S/C16H16F3N3O/c17-16(18,19)14-8-9-22(21-14)10-15(23)20-13-7-3-5-11-4-1-2-6-12(11)13/h1-2,4,6,8-9,13H,3,5,7,10H2,(H,20,23)
InChIKeyFCPYDMPNRAGLFT-UHFFFAOYSA-N
XLogP3.10
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 4878876) is N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is O=C(Cn1ccc(C(F)(F)F)n1)NC1CCCc2ccccc21.
What is the InChIKey of N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is FCPYDMPNRAGLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O/c17-16(18,19)14-8-9-22(21-14)10-15(23)20-13-7-3-5-11-4-1-2-6-12(11)13/h1-2,4,6,8-9,13H,3,5,7,10H2,(H,20,23).
What are the key properties of N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 323.32 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 4878876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).