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

C14H11F6N3O2 — CID 1101544

IUPAC2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESCc1cc(C(F)(F)F)nn1CC(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H11F6N3O2/c1-8-6-11(13(15,16)17)22-23(8)7-12(24)21-9-2-4-10(5-3-9)25-14(18,19)20/h2-6H,7H2,1H3,(H,21,24)
InChIKeyLEBQBLMGHRVFPO-UHFFFAOYSA-N
MW367.25 g/mol
LogP3.75
Rot. Bonds4

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

2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 1101544) has the molecular formula C14H11F6N3O2 and a molecular weight of 367.25 g/mol. Its IUPAC name is 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
PubChem CID1101544
Molecular FormulaC14H11F6N3O2
Molecular Weight367.25 g/mol
Exact Mass367.08
IUPAC Name2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESCc1cc(C(F)(F)F)nn1CC(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H11F6N3O2/c1-8-6-11(13(15,16)17)22-23(8)7-12(24)21-9-2-4-10(5-3-9)25-14(18,19)20/h2-6H,7H2,1H3,(H,21,24)
InChIKeyLEBQBLMGHRVFPO-UHFFFAOYSA-N
XLogP3.75
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.25
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide (CID 1101544) is 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide is Cc1cc(C(F)(F)F)nn1CC(=O)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is LEBQBLMGHRVFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F6N3O2/c1-8-6-11(13(15,16)17)22-23(8)7-12(24)21-9-2-4-10(5-3-9)25-14(18,19)20/h2-6H,7H2,1H3,(H,21,24).
What are the key properties of 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 367.25 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 1101544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).