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

C16H18F3N3O4 — CID 9483393

IUPAC2-[3-(trifluoromethyl)pyrazol-1-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
SMILESCOc1cc(CNC(=O)Cn2ccc(C(F)(F)F)n2)cc(OC)c1OC
InChIInChI=1S/C16H18F3N3O4/c1-24-11-6-10(7-12(25-2)15(11)26-3)8-20-14(23)9-22-5-4-13(21-22)16(17,18)19/h4-7H,8-9H2,1-3H3,(H,20,23)
InChIKeyCEGMAYJCSBTQNI-UHFFFAOYSA-N
MW373.33 g/mol
LogP2.24
Rot. Bonds7

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

2-[3-(trifluoromethyl)pyrazol-1-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide (PubChem CID 9483393) has the molecular formula C16H18F3N3O4 and a molecular weight of 373.33 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)pyrazol-1-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)pyrazol-1-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
PubChem CID9483393
Molecular FormulaC16H18F3N3O4
Molecular Weight373.33 g/mol
Exact Mass373.12
IUPAC Name2-[3-(trifluoromethyl)pyrazol-1-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
SMILESCOc1cc(CNC(=O)Cn2ccc(C(F)(F)F)n2)cc(OC)c1OC
InChIInChI=1S/C16H18F3N3O4/c1-24-11-6-10(7-12(25-2)15(11)26-3)8-20-14(23)9-22-5-4-13(21-22)16(17,18)19/h4-7H,8-9H2,1-3H3,(H,20,23)
InChIKeyCEGMAYJCSBTQNI-UHFFFAOYSA-N
XLogP2.24
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.33
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethyl)pyrazol-1-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[3-(trifluoromethyl)pyrazol-1-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide (CID 9483393) is 2-[3-(trifluoromethyl)pyrazol-1-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[3-(trifluoromethyl)pyrazol-1-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[3-(trifluoromethyl)pyrazol-1-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide is COc1cc(CNC(=O)Cn2ccc(C(F)(F)F)n2)cc(OC)c1OC.
What is the InChIKey of 2-[3-(trifluoromethyl)pyrazol-1-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
The InChIKey is CEGMAYJCSBTQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O4/c1-24-11-6-10(7-12(25-2)15(11)26-3)8-20-14(23)9-22-5-4-13(21-22)16(17,18)19/h4-7H,8-9H2,1-3H3,(H,20,23).
What are the key properties of 2-[3-(trifluoromethyl)pyrazol-1-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
2-[3-(trifluoromethyl)pyrazol-1-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide has a molecular weight of 373.33 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethyl)pyrazol-1-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 9483393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).