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

C15H16F3N3O2 — CID 742291

IUPACN-[(4-methoxyphenyl)methyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCOc1ccc(CNC(=O)Cn2nc(C(F)(F)F)cc2C)cc1
InChIInChI=1S/C15H16F3N3O2/c1-10-7-13(15(16,17)18)20-21(10)9-14(22)19-8-11-3-5-12(23-2)6-4-11/h3-7H,8-9H2,1-2H3,(H,19,22)
InChIKeyZQTQIWAZMRZTSV-UHFFFAOYSA-N
MW327.31 g/mol
LogP2.54
Rot. Bonds5

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

N-[(4-methoxyphenyl)methyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 742291) has the molecular formula C15H16F3N3O2 and a molecular weight of 327.31 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID742291
Molecular FormulaC15H16F3N3O2
Molecular Weight327.31 g/mol
Exact Mass327.12
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCOc1ccc(CNC(=O)Cn2nc(C(F)(F)F)cc2C)cc1
InChIInChI=1S/C15H16F3N3O2/c1-10-7-13(15(16,17)18)20-21(10)9-14(22)19-8-11-3-5-12(23-2)6-4-11/h3-7H,8-9H2,1-2H3,(H,19,22)
InChIKeyZQTQIWAZMRZTSV-UHFFFAOYSA-N
XLogP2.54
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 742291) is N-[(4-methoxyphenyl)methyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is COc1ccc(CNC(=O)Cn2nc(C(F)(F)F)cc2C)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is ZQTQIWAZMRZTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O2/c1-10-7-13(15(16,17)18)20-21(10)9-14(22)19-8-11-3-5-12(23-2)6-4-11/h3-7H,8-9H2,1-2H3,(H,19,22).
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-[(4-methoxyphenyl)methyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 327.31 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 742291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).