N-[2-(4-hydroxyphenyl)ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide

C15H16F3N3O2 — CID 35293071

IUPACN-[2-(4-hydroxyphenyl)ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCc1cc(C(F)(F)F)nn1CC(=O)NCCc1ccc(O)cc1
InChIInChI=1S/C15H16F3N3O2/c1-10-8-13(15(16,17)18)20-21(10)9-14(23)19-7-6-11-2-4-12(22)5-3-11/h2-5,8,22H,6-7,9H2,1H3,(H,19,23)
InChIKeyNLWFLLDCMXFWTM-UHFFFAOYSA-N
MW327.31 g/mol
LogP2.27
Rot. Bonds5

About N-[2-(4-hydroxyphenyl)ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-[2-(4-hydroxyphenyl)ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 35293071) has the molecular formula C15H16F3N3O2 and a molecular weight of 327.31 g/mol. Its IUPAC name is N-[2-(4-hydroxyphenyl)ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(4-hydroxyphenyl)ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID35293071
Molecular FormulaC15H16F3N3O2
Molecular Weight327.31 g/mol
Exact Mass327.12
IUPAC NameN-[2-(4-hydroxyphenyl)ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCc1cc(C(F)(F)F)nn1CC(=O)NCCc1ccc(O)cc1
InChIInChI=1S/C15H16F3N3O2/c1-10-8-13(15(16,17)18)20-21(10)9-14(23)19-7-6-11-2-4-12(22)5-3-11/h2-5,8,22H,6-7,9H2,1H3,(H,19,23)
InChIKeyNLWFLLDCMXFWTM-UHFFFAOYSA-N
XLogP2.27
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 35293071) is N-[2-(4-hydroxyphenyl)ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-[2-(4-hydroxyphenyl)ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-[2-(4-hydroxyphenyl)ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is Cc1cc(C(F)(F)F)nn1CC(=O)NCCc1ccc(O)cc1.
What is the InChIKey of N-[2-(4-hydroxyphenyl)ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is NLWFLLDCMXFWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O2/c1-10-8-13(15(16,17)18)20-21(10)9-14(23)19-7-6-11-2-4-12(22)5-3-11/h2-5,8,22H,6-7,9H2,1H3,(H,19,23).
What are the key properties of N-[2-(4-hydroxyphenyl)ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-[2-(4-hydroxyphenyl)ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 327.31 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-hydroxyphenyl)ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 35293071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).